2026-05-22 04:42:03 NPdock start 2026-05-22 04:42:03 ver: server 2026-05-22 04:42:03 mode: 11111 2026-05-22 04:42:03 is RNA? 0 2026-05-22 04:42:03 Interface: prot: '' na: '' 2026-05-22 04:42:03 Curr dir:/home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/ 2026-05-22 04:42:03 GRAMM in progress... 2026-05-22 04:42:03 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb -pi '' -ri '' -n 1 -pf '*' -rf '*' 2026-05-22 05:16:49 GRAMM done 2026-05-22 05:16:49 DNP scoring in progress... 2026-05-22 05:16:49 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt 2026-05-22 05:16:49 QDV-DNP starts 2026-05-22 05:16:49 Show log every 100 structures 2026-05-22 05:16:49 QUASI-DNP starts 2026-05-22 05:16:49 prot-na_1000.pdb -552521.439353 2026-05-22 05:17:00 prot-na_94.pdb -942980.462102 2026-05-22 05:17:11 prot-na_194.pdb -393146.818643 2026-05-22 05:17:22 prot-na_294.pdb -461138.668852 2026-05-22 05:17:32 prot-na_394.pdb -563127.349975 2026-05-22 05:17:43 prot-na_494.pdb -371307.499301 2026-05-22 05:17:53 prot-na_594.pdb -753363.004198 2026-05-22 05:18:04 prot-na_694.pdb -349988.496604 2026-05-22 05:18:14 prot-na_794.pdb -531974.647567 2026-05-22 05:18:25 prot-na_894.pdb -629609.040007 2026-05-22 05:18:36 prot-na_994.pdb -426192.369054 2026-05-22 05:18:46 prot-na_1100.pdb -357704.938342 2026-05-22 05:18:57 prot-na_1200.pdb -745756.260749 2026-05-22 05:19:08 prot-na_1300.pdb -366778.065202 2026-05-22 05:19:18 prot-na_1400.pdb -433302.820212 2026-05-22 05:19:29 prot-na_1500.pdb -567569.290306 2026-05-22 05:19:40 prot-na_1600.pdb -585940.351854 2026-05-22 05:19:50 prot-na_1700.pdb -263883.611864 2026-05-22 05:20:01 prot-na_1800.pdb -425380.544237 2026-05-22 05:20:12 prot-na_1900.pdb -679717.53252 2026-05-22 05:20:23 prot-na_2000.pdb -567033.194739 2026-05-22 05:20:34 prot-na_2100.pdb -456374.647868 2026-05-22 05:20:45 prot-na_2200.pdb -565702.12037 2026-05-22 05:20:55 prot-na_2300.pdb -401456.358826 2026-05-22 05:21:06 prot-na_2400.pdb -614830.606799 2026-05-22 05:21:17 prot-na_2500.pdb -828226.09831 2026-05-22 05:21:28 prot-na_2600.pdb -394469.902251 2026-05-22 05:21:39 prot-na_2700.pdb -475188.281124 2026-05-22 05:21:50 prot-na_2800.pdb -437513.963654 2026-05-22 05:22:01 prot-na_2900.pdb -676878.892586 2026-05-22 05:22:12 prot-na_3000.pdb -345856.76669 2026-05-22 05:22:23 prot-na_3100.pdb -489523.71983 2026-05-22 05:22:34 prot-na_3200.pdb -368723.955043 2026-05-22 05:22:45 prot-na_3300.pdb -721952.785762 2026-05-22 05:22:56 prot-na_3400.pdb -341697.782915 2026-05-22 05:23:08 prot-na_3500.pdb -442544.915041 2026-05-22 05:23:19 prot-na_3600.pdb -576417.827819 2026-05-22 05:23:30 prot-na_3700.pdb -422614.461102 2026-05-22 05:23:41 prot-na_3800.pdb -462948.147562 2026-05-22 05:23:53 prot-na_3900.pdb -364623.714681 2026-05-22 05:24:04 prot-na_4000.pdb -401780.79701 2026-05-22 05:24:15 prot-na_4100.pdb -428259.827462 2026-05-22 05:24:26 prot-na_4200.pdb -223176.448629 2026-05-22 05:24:38 prot-na_4300.pdb -607243.67557 2026-05-22 05:24:49 prot-na_4400.pdb -518393.704255 2026-05-22 05:25:00 prot-na_4500.pdb -727967.708494 2026-05-22 05:25:11 prot-na_4600.pdb -247550.670296 2026-05-22 05:25:23 prot-na_4700.pdb -414019.463282 2026-05-22 05:25:34 prot-na_4800.pdb -441066.285636 2026-05-22 05:25:45 prot-na_4900.pdb -413308.354541 2026-05-22 05:25:57 prot-na_5000.pdb -777723.245083 2026-05-22 05:26:08 prot-na_5100.pdb -477271.844645 2026-05-22 05:26:19 prot-na_5200.pdb -357795.206139 2026-05-22 05:26:30 prot-na_5300.pdb -347120.306839 2026-05-22 05:26:42 prot-na_5400.pdb -506926.350296 2026-05-22 05:26:53 prot-na_5500.pdb -355016.08957 2026-05-22 05:27:04 prot-na_5600.pdb -445120.862423 2026-05-22 05:27:16 prot-na_5700.pdb -432559.435772 2026-05-22 05:27:27 prot-na_5800.pdb -657767.280635 2026-05-22 05:27:38 prot-na_5900.pdb -560212.836378 2026-05-22 05:27:49 prot-na_6000.pdb -348067.135215 2026-05-22 05:28:00 prot-na_6100.pdb -369747.807721 2026-05-22 05:28:12 prot-na_6200.pdb -525638.659395 2026-05-22 05:28:23 prot-na_6300.pdb -811559.505848 2026-05-22 05:28:35 prot-na_6400.pdb -456134.332042 2026-05-22 05:28:46 prot-na_6500.pdb -231418.425188 2026-05-22 05:28:57 prot-na_6600.pdb -334205.117944 2026-05-22 05:29:09 prot-na_6700.pdb -189565.359363 2026-05-22 05:29:20 prot-na_6800.pdb -383721.90429 2026-05-22 05:29:32 prot-na_6900.pdb -366338.47472 2026-05-22 05:29:43 prot-na_7000.pdb -613943.55789 2026-05-22 05:29:54 prot-na_7100.pdb -597478.716014 2026-05-22 05:30:06 prot-na_7200.pdb -181866.85245 2026-05-22 05:30:17 prot-na_7300.pdb -375739.135975 2026-05-22 05:30:28 prot-na_7400.pdb -475230.990319 2026-05-22 05:30:40 prot-na_7500.pdb -303864.89622 2026-05-22 05:30:51 prot-na_7600.pdb -566432.690657 2026-05-22 05:31:02 prot-na_7700.pdb -255930.451776 2026-05-22 05:31:14 prot-na_7800.pdb -583429.276028 2026-05-22 05:31:25 prot-na_7900.pdb -357171.935857 2026-05-22 05:31:37 prot-na_8000.pdb -650790.25608 2026-05-22 05:31:49 prot-na_8100.pdb -584493.482454 2026-05-22 05:32:01 prot-na_8200.pdb -464791.176894 2026-05-22 05:32:13 prot-na_8300.pdb -136999.374811 2026-05-22 05:32:24 prot-na_8400.pdb -398041.948292 2026-05-22 05:32:36 prot-na_8500.pdb -772450.821914 2026-05-22 05:32:47 prot-na_8600.pdb -254758.224263 2026-05-22 05:32:59 prot-na_8700.pdb -655497.041475 2026-05-22 05:33:10 prot-na_8800.pdb -719862.892442 2026-05-22 05:33:22 prot-na_8900.pdb -343093.005275 2026-05-22 05:33:34 prot-na_9000.pdb -386752.996202 2026-05-22 05:33:45 prot-na_9100.pdb -570906.346288 2026-05-22 05:33:57 prot-na_9200.pdb -469645.734959 2026-05-22 05:34:08 prot-na_9300.pdb -373417.23013 2026-05-22 05:34:19 prot-na_9400.pdb -245593.84319 2026-05-22 05:34:31 prot-na_9500.pdb -413053.828924 2026-05-22 05:34:42 prot-na_9600.pdb -382514.838471 2026-05-22 05:34:54 prot-na_9700.pdb -350149.915199 2026-05-22 05:35:05 prot-na_9800.pdb -618294.58334 2026-05-22 05:35:17 prot-na_9900.pdb -659558.979428 2026-05-22 05:35:28 prot-na_10000.pdb -528714.864688 2026-05-22 05:35:39 prot-na_10100.pdb -248448.497265 2026-05-22 05:35:51 prot-na_10200.pdb -531306.360231 2026-05-22 05:36:02 prot-na_10300.pdb -484610.586634 2026-05-22 05:36:13 prot-na_10400.pdb -283215.425432 2026-05-22 05:36:24 prot-na_10500.pdb -285291.809952 2026-05-22 05:36:36 prot-na_10600.pdb -197038.528848 2026-05-22 05:36:47 prot-na_10700.pdb -467944.231985 2026-05-22 05:36:58 prot-na_10800.pdb -454921.953121 2026-05-22 05:37:09 prot-na_10900.pdb -521644.995609 2026-05-22 05:37:21 prot-na_11000.pdb -202793.728932 2026-05-22 05:37:32 prot-na_11100.pdb -502871.517424 2026-05-22 05:37:44 prot-na_11200.pdb -687278.812757 2026-05-22 05:37:55 prot-na_11300.pdb -639790.402333 2026-05-22 05:38:07 prot-na_11400.pdb -510670.985892 2026-05-22 05:38:18 prot-na_11500.pdb -340196.505173 2026-05-22 05:38:29 prot-na_11600.pdb -211932.941316 2026-05-22 05:38:41 prot-na_11700.pdb -505092.225053 2026-05-22 05:38:52 prot-na_11800.pdb -387551.585154 2026-05-22 05:39:04 prot-na_11900.pdb -435542.651225 2026-05-22 05:39:15 prot-na_12000.pdb -526525.508598 2026-05-22 05:39:26 prot-na_12100.pdb -368293.882455 2026-05-22 05:39:37 prot-na_12200.pdb -363004.39424 2026-05-22 05:39:49 prot-na_12300.pdb -345109.813851 2026-05-22 05:40:00 prot-na_12400.pdb -530921.805306 2026-05-22 05:40:12 prot-na_12500.pdb -470076.130749 2026-05-22 05:40:23 prot-na_12600.pdb -381795.475102 2026-05-22 05:40:34 prot-na_12700.pdb -625706.217653 2026-05-22 05:40:46 prot-na_12800.pdb -380525.046207 2026-05-22 05:40:57 prot-na_12900.pdb -673014.720919 2026-05-22 05:41:08 prot-na_13000.pdb -509252.422842 2026-05-22 05:41:20 prot-na_13100.pdb -494761.007851 2026-05-22 05:41:31 prot-na_13200.pdb -458139.04122 2026-05-22 05:41:43 prot-na_13300.pdb -309812.934636 2026-05-22 05:41:54 prot-na_13400.pdb -410773.085609 2026-05-22 05:42:06 prot-na_13500.pdb -362513.52347 2026-05-22 05:42:17 prot-na_13600.pdb -302767.923579 2026-05-22 05:42:28 prot-na_13700.pdb -446405.410999 2026-05-22 05:42:40 prot-na_13800.pdb -345786.244863 2026-05-22 05:42:51 prot-na_13900.pdb -245786.750824 2026-05-22 05:43:03 prot-na_14000.pdb -264158.763777 2026-05-22 05:43:14 prot-na_14100.pdb -640099.531243 2026-05-22 05:43:25 prot-na_14200.pdb -494473.707888 2026-05-22 05:43:36 prot-na_14300.pdb -485217.036921 2026-05-22 05:43:47 prot-na_14400.pdb -365956.405156 2026-05-22 05:43:58 prot-na_14500.pdb -194458.543055 2026-05-22 05:44:09 prot-na_14600.pdb -264758.671152 2026-05-22 05:44:21 prot-na_14700.pdb -238149.886326 2026-05-22 05:44:32 prot-na_14800.pdb -454703.954644 2026-05-22 05:44:43 prot-na_14900.pdb -261501.934164 2026-05-22 05:44:55 prot-na_15000.pdb -574643.632672 2026-05-22 05:45:06 prot-na_15100.pdb -275074.340495 2026-05-22 05:45:17 prot-na_15200.pdb -461296.220951 2026-05-22 05:45:29 prot-na_15300.pdb -370885.746095 2026-05-22 05:45:40 prot-na_15400.pdb -548855.328196 2026-05-22 05:45:51 prot-na_15500.pdb -249652.358293 2026-05-22 05:46:03 prot-na_15600.pdb -517241.946823 2026-05-22 05:46:14 prot-na_15700.pdb -544580.349591 2026-05-22 05:46:25 prot-na_15800.pdb -424756.807022 2026-05-22 05:46:37 prot-na_15900.pdb -369077.097064 2026-05-22 05:46:48 prot-na_16000.pdb -317631.98156 2026-05-22 05:47:00 prot-na_16100.pdb -302848.291491 2026-05-22 05:47:11 prot-na_16200.pdb -628001.583073 2026-05-22 05:47:23 prot-na_16300.pdb -757810.778918 2026-05-22 05:47:34 prot-na_16400.pdb -448202.340208 2026-05-22 05:47:46 prot-na_16500.pdb -265071.770267 2026-05-22 05:47:57 prot-na_16600.pdb -664561.138424 2026-05-22 05:48:08 prot-na_16700.pdb -283351.359097 2026-05-22 05:48:20 prot-na_16800.pdb -293354.588822 2026-05-22 05:48:31 prot-na_16900.pdb -390075.192595 2026-05-22 05:48:43 prot-na_17000.pdb -771764.697422 2026-05-22 05:48:54 prot-na_17100.pdb -651446.025482 2026-05-22 05:49:05 prot-na_17200.pdb -395730.430253 2026-05-22 05:49:17 prot-na_17300.pdb -366081.186821 2026-05-22 05:49:28 prot-na_17400.pdb -623636.821463 2026-05-22 05:49:40 prot-na_17500.pdb -232211.155445 2026-05-22 05:49:51 prot-na_17600.pdb -695809.665664 2026-05-22 05:50:02 prot-na_17700.pdb -443033.251987 2026-05-22 05:50:14 prot-na_17800.pdb -565887.410797 2026-05-22 05:50:26 prot-na_17900.pdb -231771.060483 2026-05-22 05:50:37 prot-na_18000.pdb -322204.353524 2026-05-22 05:50:48 prot-na_18100.pdb -527277.313108 2026-05-22 05:50:59 prot-na_18200.pdb -376923.653992 2026-05-22 05:51:11 prot-na_18300.pdb -98998.0438443 2026-05-22 05:51:22 prot-na_18400.pdb -303907.713089 2026-05-22 05:51:33 prot-na_18500.pdb -639594.783254 2026-05-22 05:51:45 prot-na_18600.pdb -466894.52955 2026-05-22 05:51:56 prot-na_18700.pdb -388555.709099 2026-05-22 05:52:09 prot-na_18800.pdb -425106.530442 2026-05-22 05:52:21 prot-na_18900.pdb -292459.711169 2026-05-22 05:52:33 prot-na_19000.pdb -512458.297078 2026-05-22 05:52:45 prot-na_19100.pdb -674351.028827 2026-05-22 05:52:56 prot-na_19200.pdb -343865.773701 2026-05-22 05:53:08 prot-na_19300.pdb -415554.219681 2026-05-22 05:53:19 prot-na_19400.pdb -694025.181793 2026-05-22 05:53:31 prot-na_19500.pdb -664159.613656 2026-05-22 05:53:42 prot-na_19600.pdb -627513.415489 2026-05-22 05:53:54 prot-na_19700.pdb -324727.725988 2026-05-22 05:54:05 prot-na_19800.pdb -628952.23227 2026-05-22 05:54:16 prot-na_19900.pdb -323353.467617 2026-05-22 05:54:28 prot-na_20000.pdb -266556.193409 2026-05-22 05:54:28 Varani starts 2026-05-22 05:54:28 prot-na_1000.pdb 203.729 2026-05-22 05:54:49 prot-na_94.pdb 295.095 2026-05-22 05:55:09 prot-na_194.pdb 133.228 2026-05-22 05:55:30 prot-na_294.pdb 238.69 2026-05-22 05:55:50 prot-na_394.pdb 245.465 2026-05-22 05:56:11 prot-na_494.pdb 218.011 2026-05-22 05:56:31 prot-na_594.pdb 371.862 2026-05-22 05:56:51 prot-na_694.pdb 172.809 2026-05-22 05:57:12 prot-na_794.pdb 379.573 2026-05-22 05:57:33 prot-na_894.pdb 228.642 2026-05-22 05:57:54 prot-na_994.pdb 138.594 2026-05-22 05:58:14 prot-na_1100.pdb 202.379 2026-05-22 05:58:35 prot-na_1200.pdb 121.228 2026-05-22 05:58:55 prot-na_1300.pdb 245.186 2026-05-22 05:59:16 prot-na_1400.pdb 233.826 2026-05-22 05:59:36 prot-na_1500.pdb 209.756 2026-05-22 05:59:57 prot-na_1600.pdb 79.413 2026-05-22 06:00:18 prot-na_1700.pdb 106.892 2026-05-22 06:00:38 prot-na_1800.pdb 207.883 2026-05-22 06:00:59 prot-na_1900.pdb 20.487 2026-05-22 06:01:19 prot-na_2000.pdb 224.447 2026-05-22 06:01:40 prot-na_2100.pdb 219.669 2026-05-22 06:02:01 prot-na_2200.pdb 361.594 2026-05-22 06:02:21 prot-na_2300.pdb 211.818 2026-05-22 06:02:42 prot-na_2400.pdb 116.563 2026-05-22 06:03:02 prot-na_2500.pdb 185.855 2026-05-22 06:03:23 prot-na_2600.pdb 153.563 2026-05-22 06:03:43 prot-na_2700.pdb 275.041 2026-05-22 06:04:04 prot-na_2800.pdb 222.908 2026-05-22 06:04:25 prot-na_2900.pdb 202.476 2026-05-22 06:04:46 prot-na_3000.pdb 82.462 2026-05-22 06:05:07 prot-na_3100.pdb 172.885 2026-05-22 06:05:27 prot-na_3200.pdb 321.432 2026-05-22 06:05:48 prot-na_3300.pdb 146.497 2026-05-22 06:06:09 prot-na_3400.pdb 176.783 2026-05-22 06:06:30 prot-na_3500.pdb 275.291 2026-05-22 06:06:50 prot-na_3600.pdb 332.962 2026-05-22 06:07:11 prot-na_3700.pdb 178.047 2026-05-22 06:07:31 prot-na_3800.pdb 133.711 2026-05-22 06:07:52 prot-na_3900.pdb 202.223 2026-05-22 06:08:12 prot-na_4000.pdb 169.99 2026-05-22 06:08:33 prot-na_4100.pdb 306.119 2026-05-22 06:08:53 prot-na_4200.pdb -35.953 2026-05-22 06:09:14 prot-na_4300.pdb 61.774 2026-05-22 06:09:35 prot-na_4400.pdb 156.491 2026-05-22 06:09:55 prot-na_4500.pdb 156.187 2026-05-22 06:10:16 prot-na_4600.pdb 48.673 2026-05-22 06:10:36 prot-na_4700.pdb 160.598 2026-05-22 06:10:57 prot-na_4800.pdb 191.417 2026-05-22 06:11:18 prot-na_4900.pdb 115.232 2026-05-22 06:11:38 prot-na_5000.pdb 53.231 2026-05-22 06:11:59 prot-na_5100.pdb 465.606 2026-05-22 06:12:19 prot-na_5200.pdb 64.333 2026-05-22 06:12:40 prot-na_5300.pdb 162.477 2026-05-22 06:13:00 prot-na_5400.pdb 144.721 2026-05-22 06:13:21 prot-na_5500.pdb 100.002 2026-05-22 06:13:41 prot-na_5600.pdb 104.208 2026-05-22 06:14:02 prot-na_5700.pdb 193.623 2026-05-22 06:14:23 prot-na_5800.pdb 301.785 2026-05-22 06:14:43 prot-na_5900.pdb 137.985 2026-05-22 06:15:04 prot-na_6000.pdb 198.33 2026-05-22 06:15:24 prot-na_6100.pdb 179.718 2026-05-22 06:15:45 prot-na_6200.pdb 192.951 2026-05-22 06:16:06 prot-na_6300.pdb 288.918 2026-05-22 06:16:26 prot-na_6400.pdb 169.697 2026-05-22 06:16:47 prot-na_6500.pdb 100.421 2026-05-22 06:17:07 prot-na_6600.pdb 354.042 2026-05-22 06:17:27 prot-na_6700.pdb 213.063 2026-05-22 06:17:48 prot-na_6800.pdb 156.484 2026-05-22 06:18:09 prot-na_6900.pdb 73.821 2026-05-22 06:18:29 prot-na_7000.pdb 141.408 2026-05-22 06:18:50 prot-na_7100.pdb 128.725 2026-05-22 06:19:10 prot-na_7200.pdb 224.654 2026-05-22 06:19:31 prot-na_7300.pdb 323.797 2026-05-22 06:19:51 prot-na_7400.pdb 370.072 2026-05-22 06:20:12 prot-na_7500.pdb 187.839 2026-05-22 06:20:32 prot-na_7600.pdb 359.043 2026-05-22 06:20:52 prot-na_7700.pdb 140.352 2026-05-22 06:21:13 prot-na_7800.pdb 38.645 2026-05-22 06:21:34 prot-na_7900.pdb 103.041 2026-05-22 06:21:54 prot-na_8000.pdb 86.065 2026-05-22 06:22:14 prot-na_8100.pdb 210.054 2026-05-22 06:22:35 prot-na_8200.pdb 202.597 2026-05-22 06:22:55 prot-na_8300.pdb 114.786 2026-05-22 06:23:16 prot-na_8400.pdb 114.282 2026-05-22 06:23:37 prot-na_8500.pdb 194.779 2026-05-22 06:23:57 prot-na_8600.pdb 168.376 2026-05-22 06:24:18 prot-na_8700.pdb 305.803 2026-05-22 06:24:38 prot-na_8800.pdb 177.626 2026-05-22 06:24:59 prot-na_8900.pdb 237.395 2026-05-22 06:25:21 prot-na_9000.pdb 103.279 2026-05-22 06:25:42 prot-na_9100.pdb 25.433 2026-05-22 06:26:02 prot-na_9200.pdb 306.091 2026-05-22 06:26:23 prot-na_9300.pdb 174.115 2026-05-22 06:26:43 prot-na_9400.pdb 290.697 2026-05-22 06:27:04 prot-na_9500.pdb 240.415 2026-05-22 06:27:24 prot-na_9600.pdb 337.852 2026-05-22 06:27:45 prot-na_9700.pdb 219.529 2026-05-22 06:28:05 prot-na_9800.pdb 62.877 2026-05-22 06:28:26 prot-na_9900.pdb 274.866 2026-05-22 06:28:47 prot-na_10000.pdb 205.976 2026-05-22 06:29:08 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06:36:48 prot-na_12300.pdb 202.7 2026-05-22 06:37:08 prot-na_12400.pdb 222.036 2026-05-22 06:37:29 prot-na_12500.pdb 195.99 2026-05-22 06:37:50 prot-na_12600.pdb 299.871 2026-05-22 06:38:10 prot-na_12700.pdb 184.062 2026-05-22 06:38:30 prot-na_12800.pdb 185.41 2026-05-22 06:38:51 prot-na_12900.pdb 207.269 2026-05-22 06:39:12 prot-na_13000.pdb 103.192 2026-05-22 06:39:33 prot-na_13100.pdb 242.263 2026-05-22 06:39:53 prot-na_13200.pdb 196.36 2026-05-22 06:40:14 prot-na_13300.pdb 190.23 2026-05-22 06:40:35 prot-na_13400.pdb 123.679 2026-05-22 06:40:56 prot-na_13500.pdb 81.368 2026-05-22 06:41:17 prot-na_13600.pdb 123.102 2026-05-22 06:41:37 prot-na_13700.pdb 136.072 2026-05-22 06:41:58 prot-na_13800.pdb 241.898 2026-05-22 06:42:19 prot-na_13900.pdb 144.974 2026-05-22 06:42:39 prot-na_14000.pdb 136.839 2026-05-22 06:43:00 prot-na_14100.pdb 226.621 2026-05-22 06:43:20 prot-na_14200.pdb 144.018 2026-05-22 06:43:42 prot-na_14300.pdb 96.376 2026-05-22 06:44:02 prot-na_14400.pdb 260.157 2026-05-22 06:44:23 prot-na_14500.pdb 133.282 2026-05-22 06:44:44 prot-na_14600.pdb 307.186 2026-05-22 06:45:05 prot-na_14700.pdb 157.718 2026-05-22 06:45:25 prot-na_14800.pdb 332.164 2026-05-22 06:45:46 prot-na_14900.pdb 233.568 2026-05-22 06:46:07 prot-na_15000.pdb 153.171 2026-05-22 06:46:28 prot-na_15100.pdb 143.627 2026-05-22 06:46:49 prot-na_15200.pdb 65.767 2026-05-22 06:47:10 prot-na_15300.pdb 135.972 2026-05-22 06:47:30 prot-na_15400.pdb 69.739 2026-05-22 06:47:51 prot-na_15500.pdb 101.766 2026-05-22 06:48:11 prot-na_15600.pdb 41.217 2026-05-22 06:48:32 prot-na_15700.pdb 323.744 2026-05-22 06:48:53 prot-na_15800.pdb 201.477 2026-05-22 06:49:14 prot-na_15900.pdb 403.336 2026-05-22 06:49:35 prot-na_16000.pdb 185.812 2026-05-22 06:49:55 prot-na_16100.pdb 36.196 2026-05-22 06:50:16 prot-na_16200.pdb 125.881 2026-05-22 06:50:37 prot-na_16300.pdb 293.175 2026-05-22 06:50:58 prot-na_16400.pdb 176.361 2026-05-22 06:51:18 prot-na_16500.pdb 131.503 2026-05-22 06:51:39 prot-na_16600.pdb 171.921 2026-05-22 06:52:00 prot-na_16700.pdb 274.377 2026-05-22 06:52:20 prot-na_16800.pdb 175.663 2026-05-22 06:52:41 prot-na_16900.pdb 127.337 2026-05-22 06:53:03 prot-na_17000.pdb 108.417 2026-05-22 06:53:24 prot-na_17100.pdb 68.195 2026-05-22 06:53:44 prot-na_17200.pdb 200.783 2026-05-22 06:54:05 prot-na_17300.pdb 126.492 2026-05-22 06:54:26 prot-na_17400.pdb 140.142 2026-05-22 06:54:47 prot-na_17500.pdb 130.228 2026-05-22 06:55:07 prot-na_17600.pdb 80.805 2026-05-22 06:55:28 prot-na_17700.pdb 174.399 2026-05-22 06:55:49 prot-na_17800.pdb 135.207 2026-05-22 06:56:09 prot-na_17900.pdb 67.001 2026-05-22 06:56:30 prot-na_18000.pdb 45.238 2026-05-22 06:56:51 prot-na_18100.pdb 183 2026-05-22 06:57:11 prot-na_18200.pdb 161.755 2026-05-22 06:57:32 prot-na_18300.pdb 91.096 2026-05-22 06:57:53 prot-na_18400.pdb 171.926 2026-05-22 06:58:13 prot-na_18500.pdb 98.594 2026-05-22 06:58:34 prot-na_18600.pdb 262.719 2026-05-22 06:58:55 prot-na_18700.pdb 249.896 2026-05-22 06:59:16 prot-na_18800.pdb 216.841 2026-05-22 06:59:36 prot-na_18900.pdb 252.768 2026-05-22 06:59:57 prot-na_19000.pdb 94.472 2026-05-22 07:00:17 prot-na_19100.pdb 279.789 2026-05-22 07:00:37 prot-na_19200.pdb 212.618 2026-05-22 07:00:58 prot-na_19300.pdb 99.09 2026-05-22 07:01:18 prot-na_19400.pdb 139.82 2026-05-22 07:01:39 prot-na_19500.pdb 204.433 2026-05-22 07:02:00 prot-na_19600.pdb 128.867 2026-05-22 07:02:21 prot-na_19700.pdb 109.17 2026-05-22 07:02:41 prot-na_19800.pdb 191.049 2026-05-22 07:03:01 prot-na_19900.pdb 119.1 2026-05-22 07:03:22 prot-na_20000.pdb 174.073 2026-05-22 07:03:22 DFIRE starts 2026-05-22 07:03:22 prot-na_1000.pdb -42.737548 2026-05-22 07:03:55 prot-na_94.pdb -64.787801 2026-05-22 07:04:28 prot-na_194.pdb -50.553405 2026-05-22 07:05:01 prot-na_294.pdb -45.477629 2026-05-22 07:05:34 prot-na_394.pdb -47.882803 2026-05-22 07:06:06 prot-na_494.pdb -40.746787 2026-05-22 07:06:39 prot-na_594.pdb -61.163631 2026-05-22 07:07:12 prot-na_694.pdb -40.872836 2026-05-22 07:07:45 prot-na_794.pdb -42.341483 2026-05-22 07:08:17 prot-na_894.pdb -68.223897 2026-05-22 07:08:50 prot-na_994.pdb -46.126042 2026-05-22 07:09:22 prot-na_1100.pdb -35.620510 2026-05-22 07:09:56 prot-na_1200.pdb -59.191457 2026-05-22 07:10:28 prot-na_1300.pdb -39.538198 2026-05-22 07:11:01 prot-na_1400.pdb -44.814809 2026-05-22 07:11:35 prot-na_1500.pdb -55.118563 2026-05-22 07:12:08 prot-na_1600.pdb -47.562795 2026-05-22 07:12:41 prot-na_1700.pdb -31.286551 2026-05-22 07:13:14 prot-na_1800.pdb -41.131742 2026-05-22 07:13:47 prot-na_1900.pdb -48.825587 2026-05-22 07:14:21 prot-na_2000.pdb -45.355632 2026-05-22 07:14:53 prot-na_2100.pdb -44.841414 2026-05-22 07:15:25 prot-na_2200.pdb -45.858621 2026-05-22 07:15:58 prot-na_2300.pdb -33.287380 2026-05-22 07:16:31 prot-na_2400.pdb -59.160439 2026-05-22 07:17:04 prot-na_2500.pdb -58.587753 2026-05-22 07:17:36 prot-na_2600.pdb -30.574599 2026-05-22 07:18:09 prot-na_2700.pdb -49.939368 2026-05-22 07:18:42 prot-na_2800.pdb -44.098657 2026-05-22 07:19:15 prot-na_2900.pdb -54.958685 2026-05-22 07:19:48 prot-na_3000.pdb -30.811287 2026-05-22 07:20:20 prot-na_3100.pdb -42.032071 2026-05-22 07:20:53 prot-na_3200.pdb -29.093577 2026-05-22 07:21:25 prot-na_3300.pdb -51.335104 2026-05-22 07:21:57 prot-na_3400.pdb -34.722167 2026-05-22 07:22:30 prot-na_3500.pdb -39.227507 2026-05-22 07:23:03 prot-na_3600.pdb -58.703892 2026-05-22 07:23:36 prot-na_3700.pdb -45.480370 2026-05-22 07:24:09 prot-na_3800.pdb -39.992807 2026-05-22 07:24:42 prot-na_3900.pdb -33.655144 2026-05-22 07:25:15 prot-na_4000.pdb -41.083168 2026-05-22 07:25:48 prot-na_4100.pdb -45.604842 2026-05-22 07:26:21 prot-na_4200.pdb -27.213609 2026-05-22 07:26:53 prot-na_4300.pdb -44.764234 2026-05-22 07:27:25 prot-na_4400.pdb -41.377778 2026-05-22 07:27:58 prot-na_4500.pdb -48.866168 2026-05-22 07:28:31 prot-na_4600.pdb -31.598545 2026-05-22 07:29:04 prot-na_4700.pdb -40.358313 2026-05-22 07:29:37 prot-na_4800.pdb -44.731181 2026-05-22 07:30:10 prot-na_4900.pdb -41.356148 2026-05-22 07:30:43 prot-na_5000.pdb -63.758777 2026-05-22 07:31:16 prot-na_5100.pdb -47.930786 2026-05-22 07:31:48 prot-na_5200.pdb -33.852096 2026-05-22 07:32:21 prot-na_5300.pdb -29.774997 2026-05-22 07:32:53 prot-na_5400.pdb -38.773062 2026-05-22 07:33:26 prot-na_5500.pdb -41.071046 2026-05-22 07:34:00 prot-na_5600.pdb -31.168787 2026-05-22 07:34:33 prot-na_5700.pdb -50.547754 2026-05-22 07:35:05 prot-na_5800.pdb -55.164189 2026-05-22 07:35:38 prot-na_5900.pdb -43.701368 2026-05-22 07:36:11 prot-na_6000.pdb -40.918017 2026-05-22 07:36:44 prot-na_6100.pdb -47.423196 2026-05-22 07:37:18 prot-na_6200.pdb -43.252173 2026-05-22 07:37:51 prot-na_6300.pdb -59.023931 2026-05-22 07:38:23 prot-na_6400.pdb -46.457108 2026-05-22 07:38:56 prot-na_6500.pdb -36.937685 2026-05-22 07:39:29 prot-na_6600.pdb -35.607241 2026-05-22 07:40:02 prot-na_6700.pdb -26.525957 2026-05-22 07:40:36 prot-na_6800.pdb -41.700046 2026-05-22 07:41:09 prot-na_6900.pdb -32.305257 2026-05-22 07:41:42 prot-na_7000.pdb 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2026-05-22 08:04:40 prot-na_11200.pdb -56.667612 2026-05-22 08:05:13 prot-na_11300.pdb -59.572902 2026-05-22 08:05:46 prot-na_11400.pdb -46.915769 2026-05-22 08:06:19 prot-na_11500.pdb -35.507829 2026-05-22 08:06:52 prot-na_11600.pdb -23.148872 2026-05-22 08:07:24 prot-na_11700.pdb -44.781599 2026-05-22 08:07:58 prot-na_11800.pdb -42.645191 2026-05-22 08:08:31 prot-na_11900.pdb -42.152446 2026-05-22 08:09:04 prot-na_12000.pdb -41.632507 2026-05-22 08:09:37 prot-na_12100.pdb -38.749402 2026-05-22 08:10:10 prot-na_12200.pdb -36.557505 2026-05-22 08:10:43 prot-na_12300.pdb -28.851405 2026-05-22 08:11:16 prot-na_12400.pdb -45.608959 2026-05-22 08:11:49 prot-na_12500.pdb -52.595395 2026-05-22 08:12:21 prot-na_12600.pdb -34.162984 2026-05-22 08:12:54 prot-na_12700.pdb -49.116241 2026-05-22 08:13:27 prot-na_12800.pdb -34.153225 2026-05-22 08:14:00 prot-na_12900.pdb -50.036386 2026-05-22 08:14:33 prot-na_13000.pdb -37.749089 2026-05-22 08:15:05 prot-na_13100.pdb -39.466801 2026-05-22 08:15:38 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/home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_18500.pdb -1.35977444443 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_18600.pdb -0.393212516627 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_18700.pdb 0.175885621746 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_18800.pdb -0.158923548989 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_18900.pdb 0.80989602553 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19000.pdb -0.793185060261 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19100.pdb -1.41798265664 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19200.pdb 0.227943806401 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19300.pdb 0.133164951921 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19400.pdb -1.85017740714 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19500.pdb -1.89349495694 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19600.pdb -0.80094200196 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19700.pdb 0.372404910168 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19800.pdb -0.709282760322 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19900.pdb 0.488143008795 2026-05-22 08:52:40 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_20000.pdb 0.52381952933 2026-05-22 08:52:40 [..]8187010855) ('/home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19994.pdb', -0.2528205393800433) ('/home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19995.pdb', 0.9071644451969544) ('/home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19996.pdb', -0.47272952948006464) ('/home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19997.pdb', -1.8601369480971557) ('/home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19998.pdb', 0.7086911315789235) ('/home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_19999.pdb', -0.5581330952277714) ('/home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_20000.pdb', 0.5238195293300011) 11868.54user 964.02system 3:35:51elapsed 99%CPU (0avgtext+0avgdata 197560maxresident)k 1874000inputs+7683688outputs (18major+191507366minor)pagefaults 0swaps 2026-05-22 08:52:40 Clustering (cuttoff: 5, nr_clust: 100 ) in progress... 2026-05-22 08:52:40 time python /home/rpdock/run_gramm//clustering_v4.py dars_out.txt list.txt 5 100 2026-05-22 08:52:41 100 best scored structures 2026-05-22 08:52:41 1 prot-na_3925.pdb -4.37191390939 2026-05-22 08:52:41 2 prot-na_14074.pdb -4.25811331649 2026-05-22 08:52:41 3 prot-na_1784.pdb -4.17983437048 2026-05-22 08:52:41 4 prot-na_8186.pdb -3.59384771637 2026-05-22 08:52:41 5 prot-na_609.pdb -3.57388016986 2026-05-22 08:52:41 6 prot-na_15470.pdb -3.56302452395 2026-05-22 08:52:41 7 prot-na_14113.pdb -3.56123408 2026-05-22 08:52:41 8 prot-na_4383.pdb -3.53342609411 2026-05-22 08:52:41 9 prot-na_5259.pdb -3.52949743207 2026-05-22 08:52:41 10 prot-na_665.pdb -3.52302357756 2026-05-22 08:52:41 11 prot-na_6853.pdb -3.50646436992 2026-05-22 08:52:41 12 prot-na_336.pdb -3.50447053082 2026-05-22 08:52:41 13 prot-na_3417.pdb -3.48993004465 2026-05-22 08:52:41 14 prot-na_3206.pdb -3.46499253272 2026-05-22 08:52:41 15 prot-na_14230.pdb -3.46107910609 2026-05-22 08:52:41 16 prot-na_10838.pdb -3.45614336605 2026-05-22 08:52:41 17 prot-na_4525.pdb -3.44280271667 2026-05-22 08:52:41 18 prot-na_16923.pdb -3.40040563866 2026-05-22 08:52:41 19 prot-na_3624.pdb -3.38561578564 2026-05-22 08:52:41 20 prot-na_9898.pdb -3.359532905 2026-05-22 08:52:41 21 prot-na_2254.pdb -3.32649907468 2026-05-22 08:52:41 22 prot-na_54.pdb -3.32462637282 2026-05-22 08:52:41 23 prot-na_11879.pdb -3.30026415473 2026-05-22 08:52:41 24 prot-na_15831.pdb -3.27047953903 2026-05-22 08:52:41 25 prot-na_5898.pdb -3.26969341369 2026-05-22 08:52:41 26 prot-na_1506.pdb -3.24380932819 2026-05-22 08:52:41 27 prot-na_1746.pdb -3.23838255436 2026-05-22 08:52:41 28 prot-na_10481.pdb -3.23697891699 2026-05-22 08:52:41 29 prot-na_62.pdb -3.22216052603 2026-05-22 08:52:41 30 prot-na_18211.pdb -3.22175234321 2026-05-22 08:52:41 31 prot-na_6643.pdb -3.20745235561 2026-05-22 08:52:41 32 prot-na_9939.pdb -3.18668356934 2026-05-22 08:52:41 33 prot-na_1078.pdb -3.17960787831 2026-05-22 08:52:41 34 prot-na_12075.pdb -3.16609264433 2026-05-22 08:52:41 35 prot-na_3386.pdb -3.13851515298 2026-05-22 08:52:41 36 prot-na_1439.pdb -3.13068185822 2026-05-22 08:52:41 37 prot-na_7336.pdb -3.13028122001 2026-05-22 08:52:41 38 prot-na_19255.pdb -3.11753819478 2026-05-22 08:52:41 39 prot-na_5036.pdb -3.11624720582 2026-05-22 08:52:41 40 prot-na_14016.pdb -3.11508151096 2026-05-22 08:52:41 41 prot-na_9318.pdb -3.10969239912 2026-05-22 08:52:41 42 prot-na_11175.pdb -3.09680982102 2026-05-22 08:52:41 43 prot-na_13586.pdb -3.07548872465 2026-05-22 08:52:41 44 prot-na_18776.pdb -3.01459919527 2026-05-22 08:52:41 45 prot-na_15086.pdb -3.00624305329 2026-05-22 08:52:41 46 prot-na_4065.pdb -2.99052301778 2026-05-22 08:52:41 47 prot-na_19368.pdb -2.97264436941 2026-05-22 08:52:41 48 prot-na_3412.pdb -2.97035503115 2026-05-22 08:52:41 49 prot-na_331.pdb -2.96387990892 2026-05-22 08:52:41 50 prot-na_1634.pdb -2.95374812652 2026-05-22 08:52:41 51 prot-na_11373.pdb -2.95137013868 2026-05-22 08:52:41 52 prot-na_17349.pdb -2.94288639144 2026-05-22 08:52:41 53 prot-na_2177.pdb -2.94193352715 2026-05-22 08:52:41 54 prot-na_6640.pdb -2.92022845294 2026-05-22 08:52:41 55 prot-na_982.pdb -2.91817809417 2026-05-22 08:52:41 56 prot-na_18162.pdb -2.91151348978 2026-05-22 08:52:41 57 prot-na_17049.pdb -2.89762091938 2026-05-22 08:52:41 58 prot-na_3474.pdb -2.8967038269 2026-05-22 08:52:41 59 prot-na_3658.pdb -2.89628517001 2026-05-22 08:52:41 60 prot-na_1274.pdb -2.8932666038 2026-05-22 08:52:41 61 prot-na_3863.pdb -2.89178992464 2026-05-22 08:52:41 62 prot-na_3373.pdb -2.88544465375 2026-05-22 08:52:41 63 prot-na_5639.pdb -2.87847877222 2026-05-22 08:52:41 64 prot-na_1540.pdb -2.87461472825 2026-05-22 08:52:41 65 prot-na_1061.pdb -2.87188200247 2026-05-22 08:52:41 66 prot-na_943.pdb -2.8672741129 2026-05-22 08:52:41 67 prot-na_14748.pdb -2.86652823405 2026-05-22 08:52:41 68 prot-na_508.pdb -2.8616963169 2026-05-22 08:52:41 69 prot-na_3778.pdb -2.86019005854 2026-05-22 08:52:41 70 prot-na_2638.pdb -2.8220026095 2026-05-22 08:52:41 71 prot-na_2931.pdb -2.8210010336 2026-05-22 08:52:41 72 prot-na_16415.pdb -2.80533596269 2026-05-22 08:52:41 73 prot-na_6157.pdb -2.80376141131 2026-05-22 08:52:41 74 prot-na_19435.pdb -2.80351683167 2026-05-22 08:52:41 75 prot-na_12361.pdb -2.79872716772 2026-05-22 08:52:41 76 prot-na_10559.pdb -2.79721720287 2026-05-22 08:52:41 77 prot-na_13971.pdb -2.79661160782 2026-05-22 08:52:41 78 prot-na_4323.pdb -2.79508680165 2026-05-22 08:52:41 79 prot-na_17600.pdb -2.79464808451 2026-05-22 08:52:41 80 prot-na_40.pdb -2.79420634669 2026-05-22 08:52:41 81 prot-na_948.pdb -2.79127552449 2026-05-22 08:52:41 82 prot-na_16395.pdb -2.78762855268 2026-05-22 08:52:41 83 prot-na_10353.pdb -2.78702890251 2026-05-22 08:52:41 84 prot-na_2501.pdb -2.7821979205 2026-05-22 08:52:41 85 prot-na_19801.pdb -2.78028834613 2026-05-22 08:52:41 86 prot-na_12999.pdb -2.77590181064 2026-05-22 08:52:41 87 prot-na_8576.pdb -2.77446650958 2026-05-22 08:52:41 88 prot-na_9906.pdb -2.77413058794 2026-05-22 08:52:41 89 prot-na_7641.pdb -2.77155320456 2026-05-22 08:52:41 90 prot-na_2196.pdb -2.76250792876 2026-05-22 08:52:41 91 prot-na_5125.pdb -2.75413711177 2026-05-22 08:52:41 92 prot-na_763.pdb -2.7506482823 2026-05-22 08:52:41 93 prot-na_4734.pdb -2.74956429993 2026-05-22 08:52:41 94 prot-na_867.pdb -2.74464073766 2026-05-22 08:52:41 95 prot-na_4923.pdb -2.74417632695 2026-05-22 08:52:41 96 prot-na_6973.pdb -2.74209561216 2026-05-22 08:52:41 97 prot-na_13113.pdb -2.73125957665 2026-05-22 08:52:41 98 prot-na_613.pdb -2.73099005131 2026-05-22 08:52:41 99 prot-na_853.pdb -2.73064641431 2026-05-22 08:52:41 100 prot-na_13374.pdb -2.72980740863 2026-05-22 08:52:41 Chains: B 2026-05-22 08:52:53 100 best scored structures 2026-05-22 08:52:53 GRAMM analysis selected for further analysis: prot-na_15 2026-05-22 08:52:53 Cluster #1 with 12 structures 2026-05-22 08:52:53 1 prot-na_609.pdb -3.57388016986 2026-05-22 08:52:53 2 prot-na_14230.pdb -3.46107910609 2026-05-22 08:52:53 3 prot-na_4525.pdb -3.44280271667 2026-05-22 08:52:53 4 prot-na_3624.pdb -3.38561578564 2026-05-22 08:52:53 5 prot-na_2254.pdb -3.32649907468 2026-05-22 08:52:53 6 prot-na_54.pdb -3.32462637282 2026-05-22 08:52:53 7 prot-na_14016.pdb -3.11508151096 2026-05-22 08:52:53 8 prot-na_17049.pdb -2.89762091938 2026-05-22 08:52:53 9 prot-na_3474.pdb -2.8967038269 2026-05-22 08:52:53 10 prot-na_16415.pdb -2.80533596269 2026-05-22 08:52:53 11 prot-na_6157.pdb -2.80376141131 2026-05-22 08:52:53 12 prot-na_9906.pdb -2.77413058794 2026-05-22 08:52:53 Cluster #2 with 9 structures 2026-05-22 08:52:53 1 prot-na_6853.pdb -3.50646436992 2026-05-22 08:52:53 2 prot-na_11879.pdb -3.30026415473 2026-05-22 08:52:53 3 prot-na_1506.pdb -3.24380932819 2026-05-22 08:52:53 4 prot-na_1078.pdb -3.17960787831 2026-05-22 08:52:53 5 prot-na_11175.pdb -3.09680982102 2026-05-22 08:52:53 6 prot-na_1634.pdb -2.95374812652 2026-05-22 08:52:53 7 prot-na_5639.pdb -2.87847877222 2026-05-22 08:52:53 8 prot-na_1061.pdb -2.87188200247 2026-05-22 08:52:53 9 prot-na_19801.pdb -2.78028834613 2026-05-22 08:52:53 Cluster #3 with 7 structures 2026-05-22 08:52:53 1 prot-na_1784.pdb -4.17983437048 2026-05-22 08:52:53 2 prot-na_5259.pdb -3.52949743207 2026-05-22 08:52:53 3 prot-na_9898.pdb -3.359532905 2026-05-22 08:52:53 4 prot-na_15831.pdb -3.27047953903 2026-05-22 08:52:53 5 prot-na_10481.pdb -3.23697891699 2026-05-22 08:52:53 6 prot-na_62.pdb -3.22216052603 2026-05-22 08:52:53 7 prot-na_7641.pdb -2.77155320456 2026-05-22 08:52:53 Cluster #4 with 6 structures 2026-05-22 08:52:53 1 prot-na_4383.pdb -3.53342609411 2026-05-22 08:52:53 2 prot-na_18776.pdb -3.01459919527 2026-05-22 08:52:53 3 prot-na_3412.pdb -2.97035503115 2026-05-22 08:52:53 4 prot-na_6640.pdb -2.92022845294 2026-05-22 08:52:53 5 prot-na_1274.pdb -2.8932666038 2026-05-22 08:52:53 6 prot-na_3373.pdb -2.88544465375 2026-05-22 08:52:53 Cluster #5 with 6 structures 2026-05-22 08:52:53 1 prot-na_3778.pdb -2.86019005854 2026-05-22 08:52:53 2 prot-na_2931.pdb -2.8210010336 2026-05-22 08:52:53 3 prot-na_19435.pdb -2.80351683167 2026-05-22 08:52:53 4 prot-na_4323.pdb -2.79508680165 2026-05-22 08:52:53 5 prot-na_948.pdb -2.79127552449 2026-05-22 08:52:53 6 prot-na_4923.pdb -2.74417632695 2026-05-22 08:52:53 Cluster #6 with 5 structures 2026-05-22 08:52:53 1 prot-na_14113.pdb -3.56123408 2026-05-22 08:52:53 2 prot-na_16923.pdb -3.40040563866 2026-05-22 08:52:53 3 prot-na_40.pdb -2.79420634669 2026-05-22 08:52:53 4 prot-na_8576.pdb -2.77446650958 2026-05-22 08:52:53 5 prot-na_2196.pdb -2.76250792876 2026-05-22 08:52:53 Sent to refinement: clusters_found|prot-na_609.pdb|prot-na_6853.pdb|prot-na_1784.pdb 2026-05-22 08:52:53 Sent to refinement: clusters_found|prot-na_609.pdb|prot-na_6853.pdb|prot-na_1784.pdb 2026-05-22 08:52:53 DARS clustering end 2026-05-22 08:52:53 MC (refinement) init 2026-05-22 08:52:53 python /home/rpdock/run_gramm//run_mc.py -f dars_to_mc.txt -d /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/ 2026-05-22 08:52:53 Refinement of #1 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_609.pdb 2026-05-22 08:52:53 python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_609/prot-na_609.pdb 2026-05-22 08:56:19 Refinement of #2 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_6853.pdb 2026-05-22 08:56:19 python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_6853/prot-na_6853.pdb 2026-05-22 08:59:33 Refinement of #3 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_1784.pdb 2026-05-22 08:59:33 python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_1784/prot-na_1784.pdb 2026-05-22 09:02:41 start - parameters: File name /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_609/prot-na_609.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_609/prot-na_609.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Missed atom CG in the LYS 94 Missed atom CD in the LYS 94 Missed atom CE in the LYS 94 Missed atom NZ in the LYS 94 Missed atom CG in the LYS 97 Missed atom CD in the LYS 97 Missed atom CE in the LYS 97 Missed atom NZ in the LYS 97 Missed atom OG in the SER 99 Missed atom CG in the LYS 103 Missed atom CD in the LYS 103 Missed atom CE in the LYS 103 Missed atom NZ in the LYS 103 Missed atom CG in the LYS 136 Missed atom CD in the LYS 136 Missed atom CE in the LYS 136 Missed atom NZ in the LYS 136 Missed atom CG in the LYS 137 Missed atom CD in the LYS 137 Missed atom CE in the LYS 137 Missed atom NZ in the LYS 137 Missed atom CG in the GLU 145 Missed atom CD in the GLU 145 Missed atom OE1 in the GLU 145 Missed atom OE2 in the GLU 145 Missed atom CG in the ARG 174 Missed atom CD in the ARG 174 Missed atom NE in the ARG 174 Missed atom CZ in the ARG 174 Missed atom NH1 in the ARG 174 Missed atom NH2 in the ARG 174 Missed atom CG in the ARG 188 Missed atom CD in the ARG 188 Missed atom NE in the ARG 188 Missed atom CZ in the ARG 188 Missed atom NH1 in the ARG 188 Missed atom NH2 in the ARG 188 Missed atom CG in the GLN 190 Missed atom CD in the GLN 190 Missed atom OE1 in the GLN 190 Missed atom NE2 in the GLN 190 Missed atom CG in the LYS 191 Missed atom CD in the LYS 191 Missed atom CE in the LYS 191 Missed atom NZ in the LYS 191 0 - -441761.44 -624210.65 -137550.79 320000.00 1 R -437806.64 -621496.37 -136310.27 320000.00 T= 14970.59 K progress 0.1 2 R -472845.45 -641849.23 -150996.21 320000.00 T= 14941.18 K progress 0.2 3 T -353065.10 -614616.79 -138448.31 400000.00 T= 14926.475 K progress 0.3 4 T -418796.68 -602975.09 -135821.59 320000.00 T= 14911.77 K progress 0.4 5 R -416366.64 -600058.21 -136308.43 320000.00 T= 14882.36 K progress 0.5 6 R -411368.20 -596479.45 -134888.75 320000.00 T= 14867.655 K progress 0.6 7 T -428627.03 -616126.19 -132500.84 320000.00 T= 14852.95 K progress 0.7 8 R -421740.61 -607498.08 -134242.53 320000.00 T= 14838.245 K progress 0.8 9 T -487308.87 -568969.25 -118339.62 200000.00 T= 14823.54 K progress 0.9 10 R -494744.43 -576617.64 -118126.79 200000.00 T= 14808.835 K progress 1.0 11 T -492294.86 -599672.80 -132622.06 240000.00 T= 14794.13 K progress 1.1 12 T -525785.55 -495329.05 -110456.50 80000.00 T= 14779.425 K progress 1.2 13 T -539009.47 -504168.03 -114841.44 80000.00 T= 14750.015 K progress 1.3 14 T -556982.74 -511676.64 -125306.10 80000.00 T= 14735.31 K progress 1.4 15 R -532123.93 -499044.93 -113079.00 80000.00 T= 14720.605 K progress 1.5 16 R -592453.29 -505116.70 -127336.59 40000.00 T= 14705.9 K progress 1.6 17 T -526085.15 -493414.70 -112670.46 80000.00 T= 14676.49 K progress 1.7 18 R -534288.41 -501617.95 -112670.46 80000.00 T= 14661.785 K progress 1.8 19 R -499459.96 -469353.08 -110106.88 80000.00 T= 14647.08 K progress 1.9 20 T -417651.45 -563005.08 -134646.36 280000.00 T= 14632.375 K progress 2.0 21 R -479270.71 -520821.25 -118449.46 160000.00 T= 14617.67 K progress 2.1 22 R -476015.73 -518960.63 -117055.11 160000.00 T= 14602.965 K progress 2.2 23 T -296109.23 -554352.88 -141756.34 400000.00 T= 14588.26 K progress 2.3 24 T -370556.28 -580897.53 -149658.76 360000.00 T= 14573.555 K progress 2.4 25 R -225756.29 -592562.24 -153194.06 520000.00 T= 14558.85 K progress 2.5 26 R -319009.47 -587914.20 -131095.27 400000.00 T= 14544.145 K progress 2.6 27 T -433775.16 -582757.08 -131018.07 280000.00 T= 14485.325 K progress 2.7 28 R -408296.48 -625804.30 -142492.19 360000.00 T= 14470.62 K progress 2.8 29 R -572962.51 -697310.45 -155652.07 280000.00 T= 14455.915 K progress 2.9 30 R -517157.80 -727690.79 -149467.00 360000.00 T= 14441.21 K progress 3.0 31 R -268441.82 -690406.51 -138035.30 560000.00 T= 14411.8 K progress 3.1 32 T -260221.61 -602271.28 -97950.32 440000.00 T= 14397.095 K progress 3.2 33 T -333988.51 -637931.20 -136057.31 440000.00 T= 14382.39 K progress 3.3 34 T -406138.50 -614840.36 -111298.14 320000.00 T= 14367.685 K progress 3.4 35 R -367324.19 -612876.87 -114447.32 360000.00 T= 14352.98 K progress 3.5 36 T -352229.06 -667117.22 -125111.84 440000.00 T= 14338.275 K progress 3.6 37 R -445402.57 -694669.85 -150732.73 400000.00 T= 14323.57 K progress 3.7 38 R -225979.64 -679922.83 -146056.81 600000.00 T= 14294.16 K progress 3.8 39 R -373019.19 -677767.03 -135252.16 440000.00 T= 14279.455 K progress 3.9 40 T -299262.20 -690135.52 -129126.68 520000.00 T= 14264.75 K progress 4.0 41 R -681338.26 -683287.54 -158050.73 160000.00 T= 14250.045 K progress 4.1 42 T -620026.14 -668850.01 -151176.14 200000.00 T= 14117.7 K progress 4.2 43 T -535096.48 -678321.62 -136774.86 280000.00 T= 14044.175 K progress 4.3 44 T -454661.01 -636391.87 -138269.14 320000.00 T= 14029.47 K progress 4.4 45 R -318469.78 -605722.66 -112747.12 400000.00 T= 14014.765 K progress 4.5 46 T -231811.50 -631794.47 -120017.02 520000.00 T= 14000.06 K progress 4.6 47 R -200024.79 -639474.86 -120549.94 560000.00 T= 13985.355 K progress 4.7 48 R -322376.25 -606805.33 -115570.92 400000.00 T= 13970.65 K progress 4.8 49 T -276841.28 -588872.38 -127968.90 440000.00 T= 13882.42 K progress 4.9 50 R -372404.37 -603730.46 -128673.91 360000.00 T= 13838.305 K progress 5.0 51 T -532820.95 -577565.64 -115255.31 160000.00 T= 13823.6 K progress 5.1 52 R -321837.55 -506806.89 -135030.67 320000.00 T= 13808.895 K progress 5.2 53 T -396893.80 -448748.42 -108145.38 160000.00 T= 13794.19 K progress 5.3 54 T -354391.85 -523326.30 -111065.55 280000.00 T= 13779.485 K progress 5.4 55 T -404695.11 -479161.33 -125533.77 200000.00 T= 13764.78 K progress 5.5 56 T -598233.14 -513950.83 -124282.31 40000.00 T= 13750.075 K progress 5.6 57 R -602197.50 -516430.71 -125766.79 40000.00 T= 13735.37 K progress 5.7 58 R -611534.79 -527827.95 -123706.84 40000.00 T= 13647.14 K progress 5.8 59 R -580745.13 -500466.25 -120278.88 40000.00 T= 13617.73 K progress 5.9 60 R -581093.06 -500814.18 -120278.88 40000.00 T= 13573.615 K progress 6.0 61 R -522860.68 -468245.14 -134615.54 80000.00 T= 13558.91 K progress 6.1 62 T -520541.99 -507938.62 -132603.36 120000.00 T= 13544.205 K progress 6.2 63 T -500548.39 -491507.16 -129041.22 120000.00 T= 13529.5 K progress 6.3 64 T -544107.28 -493037.37 -131069.91 80000.00 T= 13514.795 K progress 6.4 65 T -347790.80 -529561.27 -138229.53 320000.00 T= 13485.385 K progress 6.5 66 R -335516.27 -520245.41 -135270.86 320000.00 T= 13470.68 K progress 6.6 67 T -198034.08 -541174.61 -136859.47 480000.00 T= 13441.27 K progress 6.7 68 R -353974.40 -532992.50 -140981.90 320000.00 T= 13426.565 K progress 6.8 69 T -506174.62 -500227.23 -125947.39 120000.00 T= 13397.155 K progress 6.9 70 T -547814.50 -542280.39 -125534.11 120000.00 T= 13382.45 K progress 7.0 71 R -553432.08 -549380.35 -124051.73 120000.00 T= 13367.745 K progress 7.1 72 T -574366.51 -513892.64 -140473.87 80000.00 T= 13353.04 K progress 7.2 73 T -517903.20 -500496.92 -137406.28 120000.00 T= 13323.63 K progress 7.3 74 R -559007.84 -536338.07 -142669.77 120000.00 T= 13308.925 K progress 7.4 75 T -535219.45 -520743.60 -134475.85 120000.00 T= 13294.22 K progress 7.5 76 T -542113.50 -571017.60 -131095.90 160000.00 T= 13279.515 K progress 7.6 77 R -529705.65 -561318.24 -128387.41 160000.00 T= 13220.695 K progress 7.7 78 T -496947.91 -515916.74 -141031.17 160000.00 T= 13176.58 K progress 7.8 79 R -488810.68 -507629.28 -141181.40 160000.00 T= 13161.875 K progress 7.9 80 R -480363.84 -503912.92 -136450.92 160000.00 T= 13147.17 K progress 8.0 81 T -536591.10 -530492.84 -126098.26 120000.00 T= 13132.465 K progress 8.1 82 T -534750.19 -565242.25 -129507.93 160000.00 T= 13117.76 K progress 8.2 83 R -477977.22 -612256.67 -145720.55 280000.00 T= 13103.055 K progress 8.3 84 T -341281.32 -578577.17 -122704.16 360000.00 T= 13088.35 K progress 8.4 85 T -408305.15 -598925.28 -129379.88 320000.00 T= 13073.645 K progress 8.5 86 R -479891.97 -624417.09 -135474.88 280000.00 T= 13058.94 K progress 8.6 87 T -459173.27 -569123.57 -130049.70 240000.00 T= 13014.825 K progress 8.7 88 T -414154.48 -570495.13 -123659.35 280000.00 T= 12985.415 K progress 8.8 89 R -416735.25 -573075.90 -123659.35 280000.00 T= 12956.005 K progress 8.9 90 R -441232.21 -583580.18 -137652.03 280000.00 T= 12941.3 K progress 9.0 91 T -366319.24 -491004.71 -115314.52 240000.00 T= 12926.595 K progress 9.1 92 R -354283.09 -482619.25 -111663.84 240000.00 T= 12911.89 K progress 9.2 93 R -358058.08 -457866.62 -100191.46 200000.00 T= 12897.185 K progress 9.3 94 R -273716.78 -427488.36 -86228.42 240000.00 T= 12882.48 K progress 9.4 95 T -366083.01 -497257.83 -108825.18 240000.00 T= 12867.775 K progress 9.5 96 T -303373.23 -413005.68 -90367.55 200000.00 T= 12853.07 K progress 9.6 97 R -273005.72 -386619.02 -86386.70 200000.00 T= 12838.365 K progress 9.7 98 R -420516.40 -371668.58 -88847.82 40000.00 T= 12823.66 K progress 9.8 99 R -413131.72 -362850.85 -90280.87 40000.00 T= 12808.955 K progress 9.9 100 T -463249.00 -401672.91 -101576.10 40000.00 T= 12794.25 K progress 10.0 101 R -457464.77 -397174.39 -100290.38 40000.00 T= 12750.135 K progress 10.1 102 T -417738.35 -362266.02 -95472.32 40000.00 T= 12735.43 K progress 10.2 103 R -415441.59 -361959.58 -93482.01 40000.00 T= 12706.02 K progress 10.3 104 T -406006.87 -386695.48 -99311.39 80000.00 T= 12617.79 K progress 10.4 105 R -455309.94 -388920.87 -106389.06 40000.00 T= 12603.085 K progress 10.5 106 T -402554.29 -315166.10 -87388.18 0.00 T= 12588.38 K progress 10.6 107 R -417598.61 -327647.62 -89950.98 0.00 T= 12573.675 K progress 10.7 108 R -330355.07 -324904.19 -85450.89 80000.00 T= 12544.265 K progress 10.8 109 T -308449.73 -342778.25 -85671.48 120000.00 T= 12514.855 K progress 10.9 110 R -288989.36 -324545.90 -84443.46 120000.00 T= 12500.15 K progress 11.0 111 R -288989.36 -324545.90 -84443.46 120000.00 T= 12485.445 K progress 11.1 112 T -344206.57 -304988.95 -79217.63 40000.00 T= 12470.74 K progress 11.2 113 R -345697.34 -306631.29 -79066.05 40000.00 T= 12456.035 K progress 11.3 114 R -348514.10 -308302.81 -80211.29 40000.00 T= 12441.33 K progress 11.4 115 R -346591.06 -306031.85 -80559.22 40000.00 T= 12426.625 K progress 11.5 116 T -341715.74 -269139.80 -72575.93 0.00 T= 12411.92 K progress 11.6 117 T -392098.04 -315980.69 -76117.35 0.00 T= 12397.215 K progress 11.7 118 R -370091.75 -329494.77 -80596.97 40000.00 T= 12382.51 K progress 11.8 119 T -385529.21 -309778.67 -75750.55 0.00 T= 12367.805 K progress 11.9 120 R -396205.50 -318730.42 -77475.08 0.00 T= 12353.1 K progress 12.0 121 T -397511.84 -346960.50 -90551.34 40000.00 T= 12338.395 K progress 12.1 122 R -408920.32 -355612.71 -93307.61 40000.00 T= 12323.69 K progress 12.2 123 R -330216.84 -328720.85 -81495.99 80000.00 T= 12308.985 K progress 12.3 124 R -332039.12 -332006.76 -80032.37 80000.00 T= 12294.28 K progress 12.4 125 T -285498.74 -410436.53 -115062.21 240000.00 T= 12279.575 K progress 12.5 126 T -330760.67 -333606.96 -77153.71 80000.00 T= 12264.87 K progress 12.6 127 R -375485.48 -327923.47 -87562.00 40000.00 T= 12250.165 K progress 12.7 128 T -401492.25 -385667.19 -95825.06 80000.00 T= 12235.46 K progress 12.8 129 T -343715.07 -461783.81 -121931.27 240000.00 T= 12220.755 K progress 12.9 130 R -467621.19 -457202.59 -130418.60 120000.00 T= 12206.05 K progress 13.0 131 R -477094.77 -460453.58 -136641.19 120000.00 T= 12191.345 K progress 13.1 132 T -520721.36 -481214.08 -119507.29 80000.00 T= 12176.64 K progress 13.2 133 R -492563.69 -454573.81 -117989.88 80000.00 T= 12147.23 K progress 13.3 134 T -476200.89 -437328.38 -118872.51 80000.00 T= 12132.525 K progress 13.4 135 T -451549.48 -391174.31 -100375.17 40000.00 T= 12117.82 K progress 13.5 136 T -413539.36 -328617.53 -84921.83 0.00 T= 12103.115 K progress 13.6 137 T -358100.76 -288219.02 -69881.74 0.00 T= 12088.41 K progress 13.7 138 T -320496.49 -254272.39 -66224.10 0.00 T= 12059.0 K progress 13.8 139 R -301390.41 -270852.39 -70538.01 40000.00 T= 12044.295 K progress 13.9 140 R -322370.82 -259488.54 -62882.28 0.00 T= 12029.59 K progress 14.0 141 T -287889.69 -227368.74 -60520.95 0.00 T= 12014.885 K progress 14.1 142 R -269366.64 -207517.72 -61848.92 0.00 T= 12000.18 K progress 14.2 143 R -271175.37 -207493.59 -63681.78 0.00 T= 11985.475 K progress 14.3 144 T -277740.00 -207994.87 -69745.13 0.00 T= 11970.77 K progress 14.4 145 R -273294.17 -208135.95 -65158.22 0.00 T= 11956.065 K progress 14.5 146 T -291878.67 -221094.06 -70784.61 0.00 T= 11941.36 K progress 14.6 147 R -278403.94 -210994.33 -67409.61 0.00 T= 11926.655 K progress 14.7 148 R -276260.43 -210157.40 -66103.03 0.00 T= 11911.95 K progress 14.8 149 T -264593.68 -204395.61 -60198.07 0.00 T= 11897.245 K progress 14.9 150 R -299639.61 -233280.11 -66359.51 0.00 T= 11882.54 K progress 15.0 151 R -302997.20 -234802.68 -68194.52 0.00 T= 11867.835 K progress 15.1 152 R -312177.41 -240630.09 -71547.33 0.00 T= 11853.13 K progress 15.2 153 R -297762.97 -229767.53 -67995.44 0.00 T= 11838.425 K progress 15.3 154 T -350672.32 -275085.13 -75587.19 0.00 T= 11823.72 K progress 15.4 155 T -240944.22 -184506.91 -56437.31 0.00 T= 11809.015 K progress 15.5 156 R -257373.82 -196479.84 -60893.98 0.00 T= 11794.31 K progress 15.6 157 R -276129.50 -213550.28 -62579.22 0.00 T= 11779.605 K progress 15.7 158 R -357943.99 -290180.60 -67763.38 0.00 T= 11764.9 K progress 15.8 159 R -330347.78 -259016.38 -71331.40 0.00 T= 11750.195 K progress 15.9 160 R -317592.04 -249379.65 -68212.39 0.00 T= 11735.49 K progress 16.0 161 T -299834.77 -233581.39 -66253.38 0.00 T= 11720.785 K progress 16.1 162 T -325056.66 -259195.07 -65861.59 0.00 T= 11691.375 K progress 16.2 163 R -319877.56 -253934.94 -65942.62 0.00 T= 11676.67 K progress 16.3 164 T -364300.39 -296529.82 -67770.57 0.00 T= 11647.26 K progress 16.4 165 T -388065.20 -308048.78 -80016.42 0.00 T= 11632.555 K progress 16.5 166 R -317434.49 -315330.04 -82104.45 80000.00 T= 11603.145 K progress 16.6 167 T -249297.59 -387454.98 -101842.61 240000.00 T= 11588.44 K progress 16.7 168 R -401009.83 -420578.27 -100431.57 120000.00 T= 11573.735 K progress 16.8 169 T -351247.40 -316524.02 -74723.38 40000.00 T= 11559.03 K progress 16.9 170 T -303131.52 -309580.99 -73550.53 80000.00 T= 11544.325 K progress 17.0 171 R -338690.47 -301995.65 -76694.82 40000.00 T= 11529.62 K progress 17.1 172 R -333490.03 -295306.15 -78183.88 40000.00 T= 11514.915 K progress 17.2 173 R -333598.56 -359543.04 -94055.52 120000.00 T= 11500.21 K progress 17.3 174 T -337315.70 -331173.05 -86142.65 80000.00 T= 11485.505 K progress 17.4 175 R -301876.48 -340944.48 -80932.00 120000.00 T= 11470.8 K progress 17.5 176 T -264964.84 -338806.82 -86158.02 160000.00 T= 11456.095 K progress 17.6 177 R -338213.62 -336000.34 -82213.28 80000.00 T= 11441.39 K progress 17.7 178 T -313431.90 -355299.72 -78132.18 120000.00 T= 11426.685 K progress 17.8 179 T -316622.21 -362019.14 -74603.07 120000.00 T= 11411.98 K progress 17.9 180 R -355177.08 -360570.83 -74606.24 80000.00 T= 11397.275 K progress 18.0 181 R -363052.42 -328411.70 -74640.73 40000.00 T= 11382.57 K progress 18.1 182 R -381027.32 -304047.82 -76979.50 0.00 T= 11353.16 K progress 18.2 183 R -377094.64 -298684.22 -78410.42 0.00 T= 11338.455 K progress 18.3 184 T -343125.83 -269217.49 -73908.34 0.00 T= 11309.045 K progress 18.4 185 T -354873.13 -310855.01 -84018.11 40000.00 T= 11294.34 K progress 18.5 186 R -336993.99 -297848.04 -79145.94 40000.00 T= 11279.635 K progress 18.6 187 R -328812.47 -289630.37 -79182.10 40000.00 T= 11264.93 K progress 18.7 188 T -431928.31 -366228.24 -105700.06 40000.00 T= 11250.225 K progress 18.8 189 T -379529.42 -298983.88 -80545.54 0.00 T= 11235.52 K progress 18.9 190 R -369112.82 -318456.83 -90655.98 40000.00 T= 11206.11 K progress 19.0 191 T -270349.97 -408585.63 -101764.34 240000.00 T= 11191.405 K progress 19.1 192 R -267565.77 -405801.43 -101764.34 240000.00 T= 11176.7 K progress 19.2 193 T -446831.41 -377481.43 -109349.98 40000.00 T= 11161.995 K progress 19.3 194 T -377875.33 -357362.00 -100513.34 80000.00 T= 11147.29 K progress 19.4 195 R -432756.37 -370373.61 -102382.76 40000.00 T= 11132.585 K progress 19.5 196 R -461389.69 -364538.26 -96851.43 0.00 T= 11117.88 K progress 19.6 197 T -446115.20 -382946.28 -103168.92 40000.00 T= 11103.175 K progress 19.7 198 R -384668.44 -364190.70 -100477.73 80000.00 T= 11088.47 K progress 19.8 199 T -189703.64 -428892.69 -120810.95 360000.00 T= 11073.765 K progress 19.9 200 R -190676.07 -432916.45 -117759.62 360000.00 T= 11044.355 K progress 20.0 Long traj 201 R -328867.30 -380034.54 -108832.76 160000.00 T= 11029.65 K progress 20.1 202 R -332154.65 -381863.48 -110291.17 160000.00 T= 11014.945 K progress 20.2 203 R -464923.95 -361502.96 -103421.00 0.00 T= 11000.24 K progress 20.3 204 T -354333.76 -278835.07 -75498.69 0.00 T= 10970.83 K progress 20.4 205 T -450653.90 -351760.24 -98893.66 0.00 T= 10956.125 K progress 20.5 206 R -419159.31 -328780.01 -90379.30 0.00 T= 10941.42 K progress 20.6 207 T -420147.29 -327081.77 -93065.52 0.00 T= 10926.715 K progress 20.7 208 R -427884.95 -339518.70 -88366.25 0.00 T= 10912.01 K progress 20.8 209 T -433515.46 -346357.37 -87158.09 0.00 T= 10882.6 K progress 20.9 210 R -429345.61 -343896.83 -85448.78 0.00 T= 10867.895 K progress 21.0 211 R -437894.76 -356276.63 -81618.14 0.00 T= 10853.19 K progress 21.1 212 T -375141.71 -308033.27 -67108.43 0.00 T= 10838.485 K progress 21.2 213 T -372812.74 -333566.12 -79246.63 40000.00 T= 10809.075 K progress 21.3 214 R -377332.05 -338436.93 -78895.12 40000.00 T= 10794.37 K progress 21.4 215 R -411979.78 -372952.35 -79027.43 40000.00 T= 10779.665 K progress 21.5 216 R -411979.78 -372952.35 -79027.43 40000.00 T= 10735.55 K progress 21.6 217 R -342900.87 -313223.62 -69677.25 40000.00 T= 10691.435 K progress 21.7 218 R -362813.43 -328325.10 -74488.34 40000.00 T= 10676.73 K progress 21.8 219 T -389216.27 -351171.08 -78045.19 40000.00 T= 10662.025 K progress 21.9 220 T -369421.38 -336390.92 -73030.47 40000.00 T= 10647.32 K progress 22.0 221 T -376113.38 -339568.28 -76545.11 40000.00 T= 10632.615 K progress 22.1 222 R -389125.30 -354458.63 -74666.67 40000.00 T= 10617.91 K progress 22.2 223 T -348278.87 -320723.77 -67555.10 40000.00 T= 10603.205 K progress 22.3 224 R -374407.43 -347501.83 -66905.60 40000.00 T= 10588.5 K progress 22.4 225 T -375687.93 -341313.43 -74374.50 40000.00 T= 10573.795 K progress 22.5 226 R -328783.57 -297835.17 -70948.40 40000.00 T= 10559.09 K progress 22.6 227 T -264200.06 -238373.90 -65826.16 40000.00 T= 10544.385 K progress 22.7 228 R -293784.29 -270900.95 -62883.34 40000.00 T= 10529.68 K progress 22.8 229 T -316903.55 -298634.95 -58268.60 40000.00 T= 10514.975 K progress 22.9 230 T -360236.92 -326149.08 -74087.84 40000.00 T= 10500.27 K progress 23.0 231 R -357564.19 -316163.03 -81401.16 40000.00 T= 10485.565 K progress 23.1 232 T -369142.90 -288490.50 -80652.39 0.00 T= 10470.86 K progress 23.2 233 R -360634.61 -280614.08 -80020.53 0.00 T= 10441.45 K progress 23.3 234 T -448826.21 -351688.20 -97138.01 0.00 T= 10426.745 K progress 23.4 235 T -416658.22 -365224.85 -91433.37 40000.00 T= 10412.04 K progress 23.5 236 R -385479.81 -344467.96 -81011.86 40000.00 T= 10382.63 K progress 23.6 237 T -452379.43 -402939.75 -89439.67 40000.00 T= 10367.925 K progress 23.7 238 R -470095.42 -419144.79 -90950.63 40000.00 T= 10353.22 K progress 23.8 239 R -493135.69 -439144.95 -93990.74 40000.00 T= 10323.81 K progress 23.9 240 T -293385.55 -397236.68 -96148.88 200000.00 T= 10309.105 K progress 24.0 241 R -353983.79 -451812.75 -102171.04 200000.00 T= 10294.4 K progress 24.1 242 T -371700.65 -521896.43 -129804.22 280000.00 T= 10279.695 K progress 24.2 243 R -230396.35 -573052.46 -137343.89 480000.00 T= 10250.285 K progress 24.3 244 T -314778.94 -472801.80 -121977.14 280000.00 T= 10235.58 K progress 24.4 245 T -313305.12 -479016.43 -114288.68 280000.00 T= 10206.17 K progress 24.5 246 R -355242.81 -470508.70 -124734.10 240000.00 T= 10176.76 K progress 24.6 247 T -304979.93 -432313.53 -112666.41 240000.00 T= 10162.055 K progress 24.7 248 T -336892.08 -425850.66 -111041.42 200000.00 T= 10147.35 K progress 24.8 249 R -437582.98 -378607.81 -98975.18 40000.00 T= 10132.645 K progress 24.9 250 T -423664.03 -500026.80 -123637.24 200000.00 T= 10117.94 K progress 25.0 251 T -462451.98 -400674.38 -101777.59 40000.00 T= 10103.235 K progress 25.1 252 T -483290.57 -548113.80 -135176.77 200000.00 T= 10059.12 K progress 25.2 253 T -461264.27 -589007.79 -152256.48 280000.00 T= 10044.415 K progress 25.3 254 T -623259.68 -627318.49 -155941.19 160000.00 T= 10015.005 K progress 25.4 255 R -605297.90 -622029.09 -143268.81 160000.00 T= 10000.3 K progress 25.5 256 T -556021.28 -515832.30 -120188.98 80000.00 T= 9985.595 K progress 25.6 257 T -546123.19 -509119.50 -117003.69 80000.00 T= 9970.89 K progress 25.7 258 R -555527.06 -513862.68 -121664.38 80000.00 T= 9912.07 K progress 25.8 259 T -370243.90 -561219.47 -129024.43 320000.00 T= 9853.25 K progress 25.9 260 T -490383.38 -459616.11 -110767.27 80000.00 T= 9838.545 K progress 26.0 261 T -492973.43 -460821.09 -112152.34 80000.00 T= 9794.43 K progress 26.1 262 R -377904.44 -522600.54 -135303.89 280000.00 T= 9720.905 K progress 26.2 263 R -385500.99 -524673.16 -140827.83 280000.00 T= 9706.2 K progress 26.3 264 T -246922.95 -481122.28 -125800.68 360000.00 T= 9691.495 K progress 26.4 265 T -237286.10 -580575.19 -136710.91 480000.00 T= 9676.79 K progress 26.5 266 T -144136.10 -694207.98 -169928.12 720000.00 T= 9632.675 K progress 26.6 267 R -121229.63 -672754.86 -168474.77 720000.00 T= 9617.97 K progress 26.7 268 R -140081.20 -693164.39 -166916.81 720000.00 T= 9603.265 K progress 26.8 269 T -192476.44 -671726.49 -160749.95 640000.00 T= 9573.855 K progress 26.9 270 T -68690.16 -674812.07 -153878.09 760000.00 T= 9500.33 K progress 27.0 271 R 33807.03 -654250.22 -151942.75 840000.00 T= 9485.625 K progress 27.1 272 R 33495.23 -652958.72 -153546.05 840000.00 T= 9441.51 K progress 27.2 273 R -147466.43 -670214.54 -157251.90 680000.00 T= 9426.805 K progress 27.3 274 R -294522.62 -661114.86 -153407.76 520000.00 T= 9309.165 K progress 27.4 275 T -507824.60 -665952.97 -161871.63 320000.00 T= 9294.46 K progress 27.5 276 T -537412.26 -585888.60 -151523.66 200000.00 T= 9118.0 K progress 27.6 277 T -500137.07 -656717.96 -163419.11 320000.00 T= 9103.295 K progress 27.7 278 T -451839.36 -642476.78 -169362.58 360000.00 T= 9059.18 K progress 27.8 279 T -480487.18 -642217.62 -158269.55 320000.00 T= 9044.475 K progress 27.9 280 R -443482.46 -645318.63 -158163.82 360000.00 T= 9029.77 K progress 28.0 281 R -547192.15 -615953.50 -171238.65 240000.00 T= 9000.36 K progress 28.1 282 R -572816.46 -629368.09 -143448.37 200000.00 T= 8735.67 K progress 28.2 283 T -612302.33 -622155.65 -150146.68 160000.00 T= 8720.965 K progress 28.3 284 R -531139.22 -617521.11 -153618.11 240000.00 T= 8691.555 K progress 28.4 285 R -528472.77 -613445.03 -155027.74 240000.00 T= 8559.21 K progress 28.5 286 R -617713.57 -627530.43 -150183.13 160000.00 T= 8544.505 K progress 28.6 287 R -617180.45 -626997.32 -150183.13 160000.00 T= 8515.095 K progress 28.7 288 R -613305.88 -627512.57 -145793.32 160000.00 T= 8470.98 K progress 28.8 289 R -608720.60 -595114.82 -133605.78 120000.00 T= 8426.865 K progress 28.9 290 R -590163.77 -557889.04 -112274.73 80000.00 T= 8397.455 K progress 29.0 291 R -591450.50 -557618.49 -113832.01 80000.00 T= 8368.045 K progress 29.1 292 R -581416.06 -576986.59 -124429.47 120000.00 T= 8338.635 K progress 29.2 293 R -588520.40 -554958.19 -113562.21 80000.00 T= 8309.225 K progress 29.3 294 R -607860.82 -599314.15 -128546.67 120000.00 T= 8279.815 K progress 29.4 295 T -467770.85 -635571.48 -152199.38 320000.00 T= 8265.11 K progress 29.5 296 R -627786.89 -647883.46 -139903.42 160000.00 T= 8235.7 K progress 29.6 297 R -627810.07 -643007.02 -144803.05 160000.00 T= 8191.585 K progress 29.7 298 R -625016.50 -618815.24 -126201.26 120000.00 T= 8162.175 K progress 29.8 299 T -600842.60 -558566.82 -122275.78 80000.00 T= 8147.47 K progress 29.9 300 R -553511.22 -521192.81 -112318.40 80000.00 T= 8118.06 K progress 30.0 301 R -553202.67 -520769.97 -112432.70 80000.00 T= 8103.355 K progress 30.1 302 T -558860.65 -519577.56 -119283.09 80000.00 T= 8088.65 K progress 30.2 303 R -573367.56 -531400.25 -121967.31 80000.00 T= 8044.535 K progress 30.3 304 R -519778.05 -490515.24 -109262.81 80000.00 T= 8015.125 K progress 30.4 305 T -416561.30 -371081.45 -85479.85 40000.00 T= 8000.42 K progress 30.5 306 T -410870.37 -368663.07 -82207.30 40000.00 T= 7985.715 K progress 30.6 307 R -415931.54 -366236.91 -89694.64 40000.00 T= 7971.01 K progress 30.7 308 R -390566.56 -345442.02 -85124.54 40000.00 T= 7956.305 K progress 30.8 309 R -396691.51 -345063.86 -91627.65 40000.00 T= 7941.6 K progress 30.9 310 R -393099.64 -341964.60 -91135.04 40000.00 T= 7926.895 K progress 31.0 311 R -487761.48 -376524.75 -111236.73 0.00 T= 7912.19 K progress 31.1 312 T -558614.75 -441715.19 -116899.56 0.00 T= 7897.485 K progress 31.2 313 T -486465.42 -377333.11 -109132.30 0.00 T= 7882.78 K progress 31.3 314 T -543962.30 -423888.24 -120074.06 0.00 T= 7868.075 K progress 31.4 315 R -549310.69 -427774.46 -121536.23 0.00 T= 7838.665 K progress 31.5 316 T -415259.12 -329967.61 -85291.51 0.00 T= 7823.96 K progress 31.6 317 R -426151.05 -338837.19 -87313.86 0.00 T= 7809.255 K progress 31.7 318 T -422619.85 -366826.78 -95793.07 40000.00 T= 7779.845 K progress 31.8 319 T -420086.13 -331615.81 -88470.31 0.00 T= 7765.14 K progress 31.9 320 T -458307.47 -430193.35 -108114.12 80000.00 T= 7750.435 K progress 32.0 321 T -469756.74 -418043.85 -91712.89 40000.00 T= 7735.73 K progress 32.1 322 R -458298.87 -403467.22 -94831.65 40000.00 T= 7721.025 K progress 32.2 323 T -441772.46 -354792.76 -86979.70 0.00 T= 7706.32 K progress 32.3 324 T -433693.23 -381080.83 -92612.39 40000.00 T= 7676.91 K progress 32.4 325 T -432371.39 -371071.37 -101300.02 40000.00 T= 7662.205 K progress 32.5 326 T -394946.71 -348260.78 -86685.93 40000.00 T= 7647.5 K progress 32.6 327 T -368645.39 -322798.29 -85847.10 40000.00 T= 7632.795 K progress 32.7 328 R -386425.74 -342177.10 -84248.64 40000.00 T= 7618.09 K progress 32.8 329 T -301697.47 -271230.97 -70466.51 40000.00 T= 7544.565 K progress 32.9 330 R -343432.16 -271467.42 -71964.75 0.00 T= 7529.86 K progress 33.0 331 R -340698.39 -267221.75 -73476.64 0.00 T= 7515.155 K progress 33.1 332 R -338990.31 -267029.77 -71960.54 0.00 T= 7500.45 K progress 33.2 333 T -346970.12 -306894.44 -80075.68 40000.00 T= 7471.04 K progress 33.3 334 T -412879.07 -388960.56 -103918.51 80000.00 T= 7426.925 K progress 33.4 335 T -346824.59 -345812.31 -81012.28 80000.00 T= 7412.22 K progress 33.5 336 T -292319.99 -306956.48 -65363.51 80000.00 T= 7382.81 K progress 33.6 337 T -294224.87 -305052.11 -69172.76 80000.00 T= 7368.105 K progress 33.7 338 R -337159.89 -300245.77 -76914.11 40000.00 T= 7353.4 K progress 33.8 339 R -335873.83 -300393.52 -75480.31 40000.00 T= 7338.695 K progress 33.9 340 T -300856.07 -280875.91 -59980.17 40000.00 T= 7323.99 K progress 34.0 341 R -269915.31 -253870.30 -56045.01 40000.00 T= 7309.285 K progress 34.1 342 T -412371.43 -329979.93 -82391.50 0.00 T= 7265.17 K progress 34.2 343 R -411491.25 -329968.79 -81522.45 0.00 T= 7250.465 K progress 34.3 344 R -406297.53 -327884.76 -78412.77 0.00 T= 7221.055 K progress 34.4 345 T -411895.92 -335308.90 -76587.02 0.00 T= 7206.35 K progress 34.5 346 R -413999.80 -336991.31 -77008.50 0.00 T= 7162.235 K progress 34.6 347 T -384626.45 -378155.65 -86470.80 80000.00 T= 7132.825 K progress 34.7 348 T -371703.54 -391660.12 -100043.42 120000.00 T= 7118.12 K progress 34.8 349 T -448380.79 -427444.81 -100935.98 80000.00 T= 7088.71 K progress 34.9 350 T -460392.60 -468461.41 -111931.19 120000.00 T= 7074.005 K progress 35.0 351 T -399642.61 -387697.14 -91945.47 80000.00 T= 7059.3 K progress 35.1 352 R -396773.40 -386103.52 -90669.88 80000.00 T= 7044.595 K progress 35.2 353 T -387207.79 -310947.24 -76260.55 0.00 T= 7029.89 K progress 35.3 354 T -369273.08 -330292.91 -78980.17 40000.00 T= 7015.185 K progress 35.4 355 T -388217.24 -343491.10 -84726.14 40000.00 T= 7000.48 K progress 35.5 356 R -309684.34 -342273.58 -87410.77 120000.00 T= 6971.07 K progress 35.6 357 T -331414.62 -355628.08 -95786.53 120000.00 T= 6956.365 K progress 35.7 358 T -365708.46 -388484.45 -97224.01 120000.00 T= 6941.66 K progress 35.8 359 T -307877.63 -411473.30 -96404.33 200000.00 T= 6926.955 K progress 35.9 360 R -299653.23 -404637.94 -95015.29 200000.00 T= 6882.84 K progress 36.0 361 R -324469.10 -428806.75 -95662.35 200000.00 T= 6868.135 K progress 36.1 362 R -309317.78 -417094.02 -92223.75 200000.00 T= 6853.43 K progress 36.2 363 T -300391.82 -376656.66 -83735.16 160000.00 T= 6809.315 K progress 36.3 364 R -142962.76 -375215.23 -87747.53 320000.00 T= 6779.905 K progress 36.4 365 R -301117.60 -375934.50 -85183.10 160000.00 T= 6750.495 K progress 36.5 366 T -300826.71 -411129.44 -89697.27 200000.00 T= 6735.79 K progress 36.6 367 R -285100.47 -397211.21 -87889.26 200000.00 T= 6721.085 K progress 36.7 368 R -288633.85 -399628.83 -89005.02 200000.00 T= 6706.38 K progress 36.8 369 R -299013.20 -407990.93 -91022.27 200000.00 T= 6691.675 K progress 36.9 370 T -343354.94 -377205.74 -86149.19 120000.00 T= 6676.97 K progress 37.0 371 T -324775.50 -398719.35 -86056.15 160000.00 T= 6647.56 K progress 37.1 372 R -322587.74 -394044.05 -88543.68 160000.00 T= 6632.855 K progress 37.2 373 T -261223.20 -347678.11 -73545.09 160000.00 T= 6618.15 K progress 37.3 374 T -315279.20 -323168.57 -72110.63 80000.00 T= 6544.625 K progress 37.4 375 T -292398.76 -233752.22 -58646.55 0.00 T= 6529.92 K progress 37.5 376 T -245432.42 -198525.06 -46907.36 0.00 T= 6500.51 K progress 37.6 377 R -244132.00 -196453.62 -47678.37 0.00 T= 6485.805 K progress 37.7 378 R -246145.90 -199350.10 -46795.81 0.00 T= 6456.395 K progress 37.8 379 R -244509.70 -195868.87 -48640.83 0.00 T= 6441.69 K progress 37.9 380 R -241892.06 -194587.65 -47304.41 0.00 T= 6426.985 K progress 38.0 381 T -266104.77 -213135.50 -52969.27 0.00 T= 6412.28 K progress 38.1 382 R -264007.24 -213101.35 -50905.88 0.00 T= 6397.575 K progress 38.2 383 T -267262.87 -217572.09 -49690.78 0.00 T= 6382.87 K progress 38.3 384 R -276969.37 -223015.66 -53953.71 0.00 T= 6368.165 K progress 38.4 385 T -314393.58 -249449.24 -64944.35 0.00 T= 6353.46 K progress 38.5 386 R -289844.42 -229255.27 -60589.15 0.00 T= 6338.755 K progress 38.6 387 R -290007.35 -231426.94 -58580.41 0.00 T= 6324.05 K progress 38.7 388 T -308622.94 -274007.53 -74615.42 40000.00 T= 6294.64 K progress 38.8 389 R -308622.94 -274007.53 -74615.42 40000.00 T= 6250.525 K progress 38.9 390 R -308770.03 -275453.49 -73316.54 40000.00 T= 6221.115 K progress 39.0 391 T -334003.65 -301082.04 -72921.61 40000.00 T= 6206.41 K progress 39.1 392 R -355535.03 -277920.81 -77614.22 0.00 T= 6191.705 K progress 39.2 393 T -339242.57 -270603.45 -68639.12 0.00 T= 6177.0 K progress 39.3 394 R -331050.58 -299036.89 -72013.68 40000.00 T= 6147.59 K progress 39.4 395 R -210594.91 -266070.10 -64524.80 120000.00 T= 6132.885 K progress 39.5 396 T -311986.48 -253455.89 -58530.59 0.00 T= 6118.18 K progress 39.6 397 R -300158.43 -246466.25 -53692.18 0.00 T= 6088.77 K progress 39.7 398 R -305161.96 -248051.12 -57110.84 0.00 T= 6074.065 K progress 39.8 399 T -304329.00 -276175.41 -68153.59 40000.00 T= 6059.36 K progress 39.9 400 T -317072.52 -287993.94 -69078.58 40000.00 T= 6044.655 K progress 40.0 Long traj 401 T -316160.00 -289277.90 -66882.11 40000.00 T= 6015.245 K progress 40.1 402 T -307815.79 -281528.47 -66287.31 40000.00 T= 6000.54 K progress 40.2 403 R -336108.35 -267132.69 -68975.66 0.00 T= 5985.835 K progress 40.3 404 R -320461.11 -292613.17 -67847.94 40000.00 T= 5971.13 K progress 40.4 405 T -339810.65 -305346.55 -74464.10 40000.00 T= 5927.015 K progress 40.5 406 R -339810.65 -305346.55 -74464.10 40000.00 T= 5912.31 K progress 40.6 407 T -291509.04 -337897.28 -73611.76 120000.00 T= 5882.9 K progress 40.7 408 T -205757.97 -292994.00 -72763.97 160000.00 T= 5853.49 K progress 40.8 409 R -200905.60 -288357.41 -72548.19 160000.00 T= 5824.08 K progress 40.9 410 R -199113.70 -283441.74 -75671.96 160000.00 T= 5809.375 K progress 41.0 411 R -292662.16 -297187.37 -75474.79 80000.00 T= 5794.67 K progress 41.1 412 T -308778.30 -251243.25 -57535.06 0.00 T= 5779.965 K progress 41.2 413 R -229538.28 -247310.67 -62227.62 80000.00 T= 5765.26 K progress 41.3 414 R -229463.74 -255227.99 -54235.74 80000.00 T= 5735.85 K progress 41.4 415 T -321972.80 -288361.46 -73611.33 40000.00 T= 5721.145 K progress 41.5 416 R -363420.00 -287523.98 -75896.02 0.00 T= 5706.44 K progress 41.6 417 T -302411.75 -236956.33 -65455.43 0.00 T= 5691.735 K progress 41.7 418 R -325765.35 -257280.72 -68484.64 0.00 T= 5677.03 K progress 41.8 419 T -324951.25 -260040.68 -64910.57 0.00 T= 5647.62 K progress 41.9 420 R -338109.31 -271955.38 -66153.92 0.00 T= 5618.21 K progress 42.0 421 T -388045.51 -315425.93 -72619.58 0.00 T= 5574.095 K progress 42.1 422 T -352109.25 -318102.15 -74007.10 40000.00 T= 5544.685 K progress 42.2 423 T -363703.71 -294211.20 -69492.51 0.00 T= 5529.98 K progress 42.3 424 R -365123.98 -295728.64 -69395.34 0.00 T= 5515.275 K progress 42.4 425 R -355395.33 -288461.21 -66934.12 0.00 T= 5500.57 K progress 42.5 426 R -330855.41 -268321.49 -62533.93 0.00 T= 5471.16 K progress 42.6 427 R -335077.84 -270957.56 -64120.28 0.00 T= 5456.455 K progress 42.7 428 R -342869.01 -278483.17 -64385.84 0.00 T= 5441.75 K progress 42.8 429 R -335673.19 -273850.72 -61822.46 0.00 T= 5427.045 K progress 42.9 430 R -358065.56 -291885.46 -66180.10 0.00 T= 5397.635 K progress 43.0 431 T -381663.88 -306412.53 -75251.35 0.00 T= 5368.225 K progress 43.1 432 T -339939.51 -279508.50 -60431.01 0.00 T= 5353.52 K progress 43.2 433 R -337665.87 -277234.86 -60431.01 0.00 T= 5338.815 K progress 43.3 434 T -435380.14 -353467.34 -81912.80 0.00 T= 5324.11 K progress 43.4 435 T -511860.06 -410377.53 -101482.53 0.00 T= 5265.29 K progress 43.5 436 T -494616.25 -431527.28 -103088.97 40000.00 T= 5235.88 K progress 43.6 437 T -482337.38 -380267.17 -102070.21 0.00 T= 5118.24 K progress 43.7 438 R -503682.96 -396898.48 -106784.47 0.00 T= 5088.83 K progress 43.8 439 R -516972.12 -409394.19 -107577.93 0.00 T= 5059.42 K progress 43.9 440 R -516164.98 -408579.18 -107585.80 0.00 T= 5044.715 K progress 44.0 441 R -518790.74 -411204.93 -107585.80 0.00 T= 4985.895 K progress 44.1 442 R -517816.88 -408547.80 -109269.08 0.00 T= 4853.55 K progress 44.2 443 R -485921.14 -385891.59 -100029.55 0.00 T= 4824.14 K progress 44.3 444 T -418894.91 -344457.44 -74437.47 0.00 T= 4809.435 K progress 44.4 445 R -425000.64 -348109.84 -76890.80 0.00 T= 4794.73 K progress 44.5 446 R -438808.09 -358971.24 -79836.85 0.00 T= 4780.025 K progress 44.6 447 R -438808.09 -358971.24 -79836.85 0.00 T= 4765.32 K progress 44.7 448 R -419019.59 -344582.12 -74437.47 0.00 T= 4735.91 K progress 44.8 449 R -426908.33 -350211.00 -76697.33 0.00 T= 4691.795 K progress 44.9 450 T -433598.77 -380488.79 -93109.98 40000.00 T= 4647.68 K progress 45.0 451 R -463705.60 -378360.21 -85345.39 0.00 T= 4632.975 K progress 45.1 452 T -442671.61 -416631.78 -106039.83 80000.00 T= 4603.565 K progress 45.2 453 T -447150.26 -418950.22 -108200.04 80000.00 T= 4559.45 K progress 45.3 454 T -445596.83 -387602.26 -97994.56 40000.00 T= 4530.04 K progress 45.4 455 R -452233.29 -398459.68 -93773.61 40000.00 T= 4515.335 K progress 45.5 456 T -481432.42 -389766.37 -91666.05 0.00 T= 4485.925 K progress 45.6 457 R -532728.18 -432007.03 -100721.15 0.00 T= 4382.99 K progress 45.7 458 R -373205.98 -368821.16 -84384.82 80000.00 T= 4368.285 K progress 45.8 459 T -388920.93 -371730.35 -97190.58 80000.00 T= 4309.465 K progress 45.9 460 T -376994.46 -337339.60 -79654.86 40000.00 T= 4265.35 K progress 46.0 461 R -384175.27 -343107.15 -81068.11 40000.00 T= 4250.645 K progress 46.1 462 R -390046.67 -342598.13 -87448.55 40000.00 T= 4206.53 K progress 46.2 463 T -470424.61 -440680.92 -109743.69 80000.00 T= 4191.825 K progress 46.3 464 R -490568.50 -456448.26 -114120.24 80000.00 T= 4147.71 K progress 46.4 465 R -486727.04 -454148.85 -112578.19 80000.00 T= 4118.3 K progress 46.5 466 T -441383.47 -448682.67 -112700.80 120000.00 T= 4044.775 K progress 46.6 467 T -459745.97 -402586.61 -97159.37 40000.00 T= 4015.365 K progress 46.7 468 T -486325.59 -456604.03 -109721.56 80000.00 T= 4000.66 K progress 46.8 469 R -433155.58 -437783.77 -115371.82 120000.00 T= 3956.545 K progress 46.9 470 R -492042.17 -427528.35 -104513.82 40000.00 T= 3927.135 K progress 47.0 471 R -486675.97 -423205.08 -103470.89 40000.00 T= 3912.43 K progress 47.1 472 T -446402.78 -362162.39 -84240.38 0.00 T= 3883.02 K progress 47.2 473 R -447715.42 -395408.29 -92307.13 40000.00 T= 3868.315 K progress 47.3 474 R -461709.72 -376107.23 -85602.48 0.00 T= 3838.905 K progress 47.4 475 R -461095.12 -378152.28 -82942.85 0.00 T= 3809.495 K progress 47.5 476 R -460660.86 -377695.85 -82965.01 0.00 T= 3765.38 K progress 47.6 477 T -445811.74 -394878.50 -90933.24 40000.00 T= 3750.675 K progress 47.7 478 T -409135.38 -369352.83 -79782.55 40000.00 T= 3721.265 K progress 47.8 479 T -373034.04 -402710.78 -90323.27 120000.00 T= 3706.56 K progress 47.9 480 R -369940.51 -399667.96 -90272.55 120000.00 T= 3647.74 K progress 48.0 481 T -386125.35 -383909.12 -82216.22 80000.00 T= 3633.035 K progress 48.1 482 T -409400.48 -403363.91 -86036.57 80000.00 T= 3603.625 K progress 48.2 483 T -368707.27 -395155.18 -93552.08 120000.00 T= 3412.46 K progress 48.3 484 T -357711.21 -358991.32 -78719.89 80000.00 T= 3338.935 K progress 48.4 485 R -392176.34 -380849.63 -91326.71 80000.00 T= 3294.82 K progress 48.5 486 R -389831.96 -378468.56 -91363.40 80000.00 T= 3280.115 K progress 48.6 487 R -393522.08 -376953.28 -96568.80 80000.00 T= 3265.41 K progress 48.7 488 R -357986.70 -354302.93 -83683.77 80000.00 T= 3162.475 K progress 48.8 489 T -371548.91 -373650.40 -77898.51 80000.00 T= 3118.36 K progress 48.9 490 R -437081.21 -418718.29 -98362.91 80000.00 T= 3088.95 K progress 49.0 491 R -485411.03 -458893.25 -106517.78 80000.00 T= 2883.08 K progress 49.1 492 R -377118.46 -401147.78 -95970.69 120000.00 T= 2824.26 K progress 49.2 493 T -368550.80 -363390.57 -85160.23 80000.00 T= 2736.03 K progress 49.3 494 R -401260.24 -388467.88 -92792.37 80000.00 T= 2691.915 K progress 49.4 495 T -375847.13 -381764.55 -74082.58 80000.00 T= 2633.095 K progress 49.5 496 T -415903.99 -406072.81 -89831.18 80000.00 T= 2588.98 K progress 49.6 497 R -390287.12 -384932.52 -85354.60 80000.00 T= 2559.57 K progress 49.7 498 R -385672.72 -380296.95 -85375.77 80000.00 T= 2515.455 K progress 49.8 499 R -415002.31 -403380.12 -91622.19 80000.00 T= 2500.75 K progress 49.9 500 R -419837.84 -406624.28 -93213.56 80000.00 T= 2441.93 K progress 50.0 501 R -387350.98 -381835.93 -85515.05 80000.00 T= 2353.7 K progress 50.1 502 R -461337.67 -433988.65 -107349.02 80000.00 T= 2280.175 K progress 50.2 503 T -467724.56 -445312.47 -102412.09 80000.00 T= 2118.42 K progress 50.3 504 T -451495.39 -437986.92 -93508.46 80000.00 T= 2103.715 K progress 50.4 505 R -451495.39 -437986.92 -93508.46 80000.00 T= 2030.19 K progress 50.5 506 T -457167.08 -440980.11 -96186.97 80000.00 T= 2015.485 K progress 50.6 507 R -460881.62 -444673.38 -96208.24 80000.00 T= 1971.37 K progress 50.7 508 T -503523.33 -451260.93 -92262.40 40000.00 T= 1927.255 K progress 50.8 509 R -501145.61 -448032.06 -93113.55 40000.00 T= 1839.025 K progress 50.9 510 R -462508.94 -416404.91 -86104.03 40000.00 T= 1794.91 K progress 51.0 511 R -480243.08 -431187.56 -89055.52 40000.00 T= 1736.09 K progress 51.1 512 T -490254.66 -436542.70 -93711.96 40000.00 T= 1662.565 K progress 51.2 513 R -480039.41 -429009.55 -91029.86 40000.00 T= 1603.745 K progress 51.3 514 R -472385.71 -452411.27 -99974.44 80000.00 T= 1574.335 K progress 51.4 515 R -504177.10 -442800.07 -101377.03 40000.00 T= 1559.63 K progress 51.5 516 R -489123.59 -432200.23 -96923.36 40000.00 T= 1133.185 K progress 51.6 msg save long traj Save long msg save best.pdb msg save plot e_step.png start - parameters: File name /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_6853/prot-na_6853.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_6853/prot-na_6853.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Missed atom CG in the LYS 94 Missed atom CD in the LYS 94 Missed atom CE in the LYS 94 Missed atom NZ in the LYS 94 Missed atom CG in the LYS 97 Missed atom CD in the LYS 97 Missed atom CE in the LYS 97 Missed atom NZ in the LYS 97 Missed atom OG in the SER 99 Missed atom CG in the LYS 103 Missed atom CD in the LYS 103 Missed atom CE in the LYS 103 Missed atom NZ in the LYS 103 Missed atom CG in the LYS 136 Missed atom CD in the LYS 136 Missed atom CE in the LYS 136 Missed atom NZ in the LYS 136 Missed atom CG in the LYS 137 Missed atom CD in the LYS 137 Missed atom CE in the LYS 137 Missed atom NZ in the LYS 137 Missed atom CG in the GLU 145 Missed atom CD in the GLU 145 Missed atom OE1 in the GLU 145 Missed atom OE2 in the GLU 145 Missed atom CG in the ARG 174 Missed atom CD in the ARG 174 Missed atom NE in the ARG 174 Missed atom CZ in the ARG 174 Missed atom NH1 in the ARG 174 Missed atom NH2 in the ARG 174 Missed atom CG in the ARG 188 Missed atom CD in the ARG 188 Missed atom NE in the ARG 188 Missed atom CZ in the ARG 188 Missed atom NH1 in the ARG 188 Missed atom NH2 in the ARG 188 Missed atom CG in the GLN 190 Missed atom CD in the GLN 190 Missed atom OE1 in the GLN 190 Missed atom NE2 in the GLN 190 Missed atom CG in the LYS 191 Missed atom CD in the LYS 191 Missed atom CE in the LYS 191 Missed atom NZ in the LYS 191 0 - -448647.53 -611305.96 -157341.56 320000.00 1 R -433908.69 -608798.25 -145110.43 320000.00 T= 14985.295 K progress 0.1 2 R -395304.16 -611994.23 -143309.93 360000.00 T= 14970.59 K progress 0.2 3 R -473981.52 -634696.57 -159284.96 320000.00 T= 14955.885 K progress 0.3 4 R -362272.04 -585252.08 -137019.97 360000.00 T= 14911.77 K progress 0.4 5 T -507213.60 -633150.04 -154063.56 280000.00 T= 14882.36 K progress 0.5 6 T -533999.47 -627464.62 -146534.86 240000.00 T= 14867.655 K progress 0.6 7 R -460208.48 -589312.78 -150895.70 280000.00 T= 14823.54 K progress 0.7 8 T -616516.85 -560875.17 -135641.68 80000.00 T= 14808.835 K progress 0.8 9 R -610673.92 -555080.91 -135593.01 80000.00 T= 14779.425 K progress 0.9 10 R -606165.47 -552551.71 -133613.76 80000.00 T= 14764.72 K progress 1.0 11 R -577180.27 -530378.26 -126802.01 80000.00 T= 14735.31 K progress 1.1 12 T -636938.98 -569408.67 -147530.30 80000.00 T= 14720.605 K progress 1.2 13 T -536092.36 -521751.51 -134340.85 120000.00 T= 14676.49 K progress 1.3 14 R -448527.90 -540133.96 -108393.94 200000.00 T= 14661.785 K progress 1.4 15 R -301606.17 -554812.14 -106794.02 360000.00 T= 14647.08 K progress 1.5 16 R -302278.91 -555108.84 -107170.07 360000.00 T= 14632.375 K progress 1.6 17 T -332951.20 -518926.07 -94025.13 280000.00 T= 14617.67 K progress 1.7 18 R -337929.46 -515227.48 -102701.98 280000.00 T= 14602.965 K progress 1.8 19 T -353361.00 -458510.68 -94850.31 200000.00 T= 14588.26 K progress 1.9 20 R -493773.31 -498838.83 -114934.48 120000.00 T= 14573.555 K progress 2.0 21 R -439092.25 -481282.99 -117809.26 160000.00 T= 14558.85 K progress 2.1 22 T -457546.67 -509487.33 -108059.34 160000.00 T= 14544.145 K progress 2.2 23 R -472492.02 -518715.38 -113776.64 160000.00 T= 14529.44 K progress 2.3 24 R -433951.77 -520176.42 -113775.35 200000.00 T= 14485.325 K progress 2.4 25 T -292676.26 -491290.11 -121386.15 320000.00 T= 14470.62 K progress 2.5 26 T -358181.25 -453151.35 -105029.90 200000.00 T= 14455.915 K progress 2.6 27 R -364718.15 -456342.22 -108375.93 200000.00 T= 14441.21 K progress 2.7 28 R -358627.93 -450599.44 -108028.49 200000.00 T= 14426.505 K progress 2.8 29 R -351736.77 -443677.43 -108059.34 200000.00 T= 14411.8 K progress 2.9 30 R -287158.80 -479807.94 -127350.86 320000.00 T= 14397.095 K progress 3.0 31 T -513268.52 -437855.35 -115413.17 40000.00 T= 14382.39 K progress 3.1 32 T -492316.03 -467547.81 -104768.22 80000.00 T= 14367.685 K progress 3.2 33 T -509111.68 -500872.93 -128238.75 120000.00 T= 14352.98 K progress 3.3 34 T -375051.08 -500679.52 -114371.56 240000.00 T= 14338.275 K progress 3.4 35 R -481598.76 -475093.80 -126504.95 120000.00 T= 14323.57 K progress 3.5 36 T -485957.70 -519389.16 -126568.55 160000.00 T= 14308.865 K progress 3.6 37 T -398321.76 -487862.19 -110459.57 200000.00 T= 14220.635 K progress 3.7 38 R -367365.35 -498787.78 -108577.57 240000.00 T= 14205.93 K progress 3.8 39 T -232518.83 -472957.99 -79560.84 320000.00 T= 14191.225 K progress 3.9 40 T -480364.91 -493320.13 -107044.78 120000.00 T= 14176.52 K progress 4.0 41 R -519034.30 -493122.53 -105911.76 80000.00 T= 14161.815 K progress 4.1 42 T -456206.45 -473157.01 -103049.44 120000.00 T= 14147.11 K progress 4.2 43 T -468736.59 -448934.79 -99801.80 80000.00 T= 14132.405 K progress 4.3 44 R -427904.30 -447305.78 -100598.53 120000.00 T= 14117.7 K progress 4.4 45 T -227372.06 -452699.74 -94672.31 320000.00 T= 14102.995 K progress 4.5 46 R -234610.67 -457752.28 -96858.39 320000.00 T= 14088.29 K progress 4.6 47 T -373266.84 -440719.61 -92547.23 160000.00 T= 14073.585 K progress 4.7 48 T -369716.98 -440162.03 -89554.95 160000.00 T= 14044.175 K progress 4.8 49 R -363290.85 -431425.41 -91865.44 160000.00 T= 14029.47 K progress 4.9 50 T -206804.12 -432322.40 -94481.72 320000.00 T= 14014.765 K progress 5.0 51 T -454406.47 -464529.55 -109876.92 120000.00 T= 14000.06 K progress 5.1 52 R -453066.26 -467263.18 -105803.08 120000.00 T= 13941.24 K progress 5.2 53 R -463130.13 -472294.83 -110835.29 120000.00 T= 13926.535 K progress 5.3 54 T -482289.73 -455158.27 -107131.46 80000.00 T= 13911.83 K progress 5.4 55 R -465775.71 -444356.80 -101418.92 80000.00 T= 13882.42 K progress 5.5 56 R -502954.61 -478555.48 -104399.14 80000.00 T= 13867.715 K progress 5.6 57 T -556481.75 -483405.86 -113075.89 40000.00 T= 13853.01 K progress 5.7 58 R -524971.60 -455842.16 -109129.44 40000.00 T= 13823.6 K progress 5.8 59 T -449716.94 -397212.94 -92504.00 40000.00 T= 13794.19 K progress 5.9 60 T -428074.60 -347201.79 -80872.81 0.00 T= 13764.78 K progress 6.0 61 R -422769.72 -343137.32 -79632.40 0.00 T= 13750.075 K progress 6.1 62 R -447285.85 -363193.53 -84092.32 0.00 T= 13735.37 K progress 6.2 63 R -419351.05 -339451.78 -79899.27 0.00 T= 13691.255 K progress 6.3 64 T -538545.51 -429112.08 -109433.44 0.00 T= 13661.845 K progress 6.4 65 R -475806.48 -410336.13 -105470.35 40000.00 T= 13632.435 K progress 6.5 66 R -390165.68 -369675.79 -100489.89 80000.00 T= 13603.025 K progress 6.6 67 R -476921.28 -412846.74 -104074.55 40000.00 T= 13588.32 K progress 6.7 68 T -530516.52 -460289.53 -110226.99 40000.00 T= 13573.615 K progress 6.8 69 R -567942.94 -484612.67 -123330.27 40000.00 T= 13558.91 K progress 6.9 70 R -472348.56 -446955.68 -105392.88 80000.00 T= 13544.205 K progress 7.0 71 T -515466.48 -480641.21 -114825.27 80000.00 T= 13529.5 K progress 7.1 72 T -515472.70 -448765.79 -106706.91 40000.00 T= 13514.795 K progress 7.2 73 T -500030.93 -426567.65 -113463.28 40000.00 T= 13500.09 K progress 7.3 74 R -500030.93 -426567.65 -113463.28 40000.00 T= 13470.68 K progress 7.4 75 R -503289.10 -424753.02 -118536.08 40000.00 T= 13455.975 K progress 7.5 76 T -417734.59 -387952.74 -109781.85 80000.00 T= 13426.565 K progress 7.6 77 T -545528.23 -472315.87 -113212.35 40000.00 T= 13397.155 K progress 7.7 78 T -576227.35 -460210.50 -116016.85 0.00 T= 13382.45 K progress 7.8 79 R -492509.20 -427941.40 -104567.80 40000.00 T= 13338.335 K progress 7.9 80 R -409207.91 -389656.74 -99551.17 80000.00 T= 13323.63 K progress 8.0 81 T -349243.54 -383658.73 -85584.81 120000.00 T= 13308.925 K progress 8.1 82 R -349243.54 -383658.73 -85584.81 120000.00 T= 13279.515 K progress 8.2 83 R -352444.79 -387125.12 -85319.68 120000.00 T= 13250.105 K progress 8.3 84 T -343154.26 -372908.05 -90246.21 120000.00 T= 13235.4 K progress 8.4 85 R -571388.88 -457728.41 -113660.47 0.00 T= 13220.695 K progress 8.5 86 R -571265.18 -462031.51 -109233.67 0.00 T= 13205.99 K progress 8.6 87 R -526643.80 -457805.94 -108837.86 40000.00 T= 13191.285 K progress 8.7 88 T -486835.64 -424459.20 -102376.44 40000.00 T= 13176.58 K progress 8.8 89 T -504788.31 -437335.98 -107452.33 40000.00 T= 13161.875 K progress 8.9 90 R -555702.70 -441530.76 -114171.94 0.00 T= 13147.17 K progress 9.0 91 R -534693.10 -427140.34 -107552.76 0.00 T= 13132.465 K progress 9.1 92 T -514266.03 -508830.21 -125435.83 120000.00 T= 13117.76 K progress 9.2 93 R -561125.81 -509650.33 -131475.48 80000.00 T= 13103.055 K progress 9.3 94 R -553688.12 -508640.65 -125047.47 80000.00 T= 13044.235 K progress 9.4 95 T -417012.85 -512404.46 -104608.40 200000.00 T= 13029.53 K progress 9.5 96 T -498764.07 -475170.77 -103593.30 80000.00 T= 13014.825 K progress 9.6 97 T -449267.06 -434335.79 -94931.27 80000.00 T= 13000.12 K progress 9.7 98 R -470342.26 -455354.33 -94987.94 80000.00 T= 12985.415 K progress 9.8 99 R -473353.91 -457149.44 -96204.47 80000.00 T= 12970.71 K progress 9.9 100 R -469560.56 -454655.81 -94904.74 80000.00 T= 12956.005 K progress 10.0 101 R -441504.10 -462829.80 -98674.30 120000.00 T= 12941.3 K progress 10.1 102 T -479773.35 -421517.41 -98255.95 40000.00 T= 12926.595 K progress 10.2 103 T -378600.04 -366535.63 -92064.41 80000.00 T= 12897.185 K progress 10.3 104 T -393364.03 -407597.26 -105766.76 120000.00 T= 12882.48 K progress 10.4 105 T -490699.29 -465447.67 -105251.62 80000.00 T= 12867.775 K progress 10.5 106 R -497691.17 -472439.55 -105251.62 80000.00 T= 12853.07 K progress 10.6 107 T -461043.61 -443659.76 -97383.85 80000.00 T= 12838.365 K progress 10.7 108 R -460210.94 -441327.26 -98883.69 80000.00 T= 12823.66 K progress 10.8 109 R -534838.47 -462322.88 -112515.59 40000.00 T= 12808.955 K progress 10.9 110 T -448732.42 -452044.78 -116687.63 120000.00 T= 12794.25 K progress 11.0 111 R -490967.38 -463502.79 -107464.58 80000.00 T= 12720.725 K progress 11.1 112 T -353341.72 -439723.18 -113618.54 200000.00 T= 12706.02 K progress 11.2 113 T -399598.53 -373159.12 -106439.41 80000.00 T= 12691.315 K progress 11.3 114 R -413853.02 -385894.09 -107958.92 80000.00 T= 12676.61 K progress 11.4 115 R -418647.53 -390595.64 -108051.89 80000.00 T= 12661.905 K progress 11.5 116 R -454924.88 -389197.32 -105727.57 40000.00 T= 12647.2 K progress 11.6 117 R -477926.03 -404414.58 -113511.45 40000.00 T= 12632.495 K progress 11.7 118 R -477756.90 -404245.45 -113511.45 40000.00 T= 12617.79 K progress 11.8 119 R -412503.45 -385781.29 -106722.17 80000.00 T= 12603.085 K progress 11.9 120 T -434718.43 -407380.22 -107338.21 80000.00 T= 12588.38 K progress 12.0 121 T -406982.82 -371918.87 -115063.95 80000.00 T= 12573.675 K progress 12.1 122 T -418534.40 -391327.67 -107206.73 80000.00 T= 12558.97 K progress 12.2 123 T -404858.16 -376985.70 -107872.45 80000.00 T= 12544.265 K progress 12.3 124 T -372338.88 -348551.52 -103787.36 80000.00 T= 12529.56 K progress 12.4 125 R -359330.82 -340540.90 -98789.92 80000.00 T= 12514.855 K progress 12.5 126 R -374414.55 -350627.19 -103787.36 80000.00 T= 12500.15 K progress 12.6 127 T -507083.24 -426260.56 -120822.68 40000.00 T= 12485.445 K progress 12.7 128 T -452050.75 -416479.59 -115571.16 80000.00 T= 12470.74 K progress 12.8 129 R -458188.44 -418694.06 -119494.37 80000.00 T= 12456.035 K progress 12.9 130 R -457687.04 -416826.91 -120860.13 80000.00 T= 12441.33 K progress 13.0 131 R -464323.98 -423500.42 -120823.57 80000.00 T= 12426.625 K progress 13.1 132 R -473841.42 -435298.89 -118542.53 80000.00 T= 12411.92 K progress 13.2 133 R -477635.13 -437607.94 -120027.19 80000.00 T= 12397.215 K progress 13.3 134 T -456767.54 -453755.68 -123011.86 120000.00 T= 12353.1 K progress 13.4 135 R -441409.19 -436987.50 -124421.69 120000.00 T= 12338.395 K progress 13.5 136 R -398165.88 -427283.76 -130882.12 160000.00 T= 12323.69 K progress 13.6 137 R -472210.71 -425000.77 -127209.94 80000.00 T= 12308.985 K progress 13.7 138 R -431679.96 -421672.88 -130007.08 120000.00 T= 12294.28 K progress 13.8 139 R -387198.45 -421089.82 -126108.63 160000.00 T= 12279.575 K progress 13.9 140 T -460226.87 -441715.31 -138511.56 120000.00 T= 12250.165 K progress 14.0 141 R -438038.96 -429392.30 -128646.66 120000.00 T= 12147.23 K progress 14.1 142 T -485259.94 -464156.53 -141103.40 120000.00 T= 12132.525 K progress 14.2 143 R -452935.02 -466626.41 -146308.62 160000.00 T= 12103.115 K progress 14.3 144 T -414068.74 -436813.72 -137255.02 160000.00 T= 12088.41 K progress 14.4 145 R -424207.55 -443123.16 -141084.39 160000.00 T= 12073.705 K progress 14.5 146 R -417011.21 -439279.24 -137731.97 160000.00 T= 12059.0 K progress 14.6 147 T -422085.94 -492146.95 -129938.99 200000.00 T= 12044.295 K progress 14.7 148 R -379024.58 -460192.22 -118832.36 200000.00 T= 12014.885 K progress 14.8 149 T -416647.57 -417977.31 -118670.26 120000.00 T= 11970.77 K progress 14.9 150 T -361611.25 -418488.85 -103122.40 160000.00 T= 11956.065 K progress 15.0 151 R -425034.47 -432400.52 -112633.95 120000.00 T= 11941.36 K progress 15.1 152 R -423982.61 -431515.37 -112467.25 120000.00 T= 11911.95 K progress 15.2 153 R -416032.21 -433939.61 -102092.59 120000.00 T= 11897.245 K progress 15.3 154 R -394576.01 -463466.37 -131109.63 200000.00 T= 11882.54 K progress 15.4 155 T -416517.03 -387985.18 -108531.85 80000.00 T= 11867.835 K progress 15.5 156 R -400627.65 -372165.17 -108462.48 80000.00 T= 11853.13 K progress 15.6 157 R -439680.77 -401240.50 -118440.27 80000.00 T= 11823.72 K progress 15.7 158 R -434133.92 -400805.10 -113328.82 80000.00 T= 11809.015 K progress 15.8 159 T -339837.81 -418231.13 -121606.68 200000.00 T= 11794.31 K progress 15.9 160 R -278569.90 -402691.76 -115878.14 240000.00 T= 11779.605 K progress 16.0 161 T -242036.58 -338672.50 -103364.08 200000.00 T= 11764.9 K progress 16.1 162 R -342313.68 -320198.96 -102114.72 80000.00 T= 11735.49 K progress 16.2 163 R -337597.78 -330433.57 -87164.22 80000.00 T= 11720.785 K progress 16.3 164 R -330062.34 -329221.35 -80840.99 80000.00 T= 11706.08 K progress 16.4 165 R -336571.00 -319338.90 -97232.09 80000.00 T= 11691.375 K progress 16.5 166 T -296118.10 -382060.18 -114057.92 200000.00 T= 11676.67 K progress 16.6 167 T -327462.22 -402186.20 -125276.02 200000.00 T= 11647.26 K progress 16.7 168 T -271751.31 -370437.81 -101313.50 200000.00 T= 11632.555 K progress 16.8 169 T -287745.15 -379396.20 -108348.94 200000.00 T= 11617.85 K progress 16.9 170 T -229801.29 -368112.55 -101688.75 240000.00 T= 11603.145 K progress 17.0 171 T -259064.09 -346062.43 -113001.66 200000.00 T= 11588.44 K progress 17.1 172 R -238754.46 -328938.70 -109815.76 200000.00 T= 11573.735 K progress 17.2 173 R -221734.04 -318478.39 -103255.65 200000.00 T= 11559.03 K progress 17.3 174 R -387300.95 -324705.07 -102595.88 40000.00 T= 11544.325 K progress 17.4 175 T -435584.75 -406866.90 -108717.85 80000.00 T= 11514.915 K progress 17.5 176 T -421393.20 -397912.54 -103480.66 80000.00 T= 11500.21 K progress 17.6 177 R -479189.08 -404241.50 -114947.58 40000.00 T= 11485.505 K progress 17.7 178 R -421722.64 -399857.22 -101865.41 80000.00 T= 11470.8 K progress 17.8 179 T -467513.27 -428087.88 -119425.39 80000.00 T= 11456.095 K progress 17.9 180 T -445506.27 -377376.40 -108129.87 40000.00 T= 11441.39 K progress 18.0 181 R -440012.34 -376557.97 -103454.38 40000.00 T= 11426.685 K progress 18.1 182 R -288104.57 -381249.59 -106854.98 200000.00 T= 11411.98 K progress 18.2 183 T -373972.98 -371066.28 -122906.70 120000.00 T= 11397.275 K progress 18.3 184 T -438308.81 -430032.96 -128275.85 120000.00 T= 11382.57 K progress 18.4 185 R -440076.77 -427883.16 -132193.61 120000.00 T= 11323.75 K progress 18.5 186 R -422170.35 -424334.97 -117835.38 120000.00 T= 11309.045 K progress 18.6 187 T -299736.58 -322224.90 -97511.67 120000.00 T= 11294.34 K progress 18.7 188 R -296992.27 -317058.60 -99933.67 120000.00 T= 11279.635 K progress 18.8 189 T -159639.73 -306467.98 -93171.76 240000.00 T= 11264.93 K progress 18.9 190 T -137595.63 -292851.61 -84744.03 240000.00 T= 11250.225 K progress 19.0 191 R -126054.14 -278075.56 -87978.58 240000.00 T= 11235.52 K progress 19.1 192 T -152240.95 -270838.77 -81402.18 200000.00 T= 11220.815 K progress 19.2 193 R -150415.24 -262553.01 -87862.23 200000.00 T= 11206.11 K progress 19.3 194 T -222725.00 -262565.14 -80159.86 120000.00 T= 11191.405 K progress 19.4 195 R -87223.28 -276121.66 -91101.61 280000.00 T= 11176.7 K progress 19.5 196 T -185290.93 -361171.44 -104119.48 280000.00 T= 11161.995 K progress 19.6 197 R -204262.93 -366563.60 -117699.33 280000.00 T= 11147.29 K progress 19.7 198 T -159507.06 -328046.84 -111460.22 280000.00 T= 11132.585 K progress 19.8 199 R -155981.04 -328827.99 -107153.05 280000.00 T= 11103.175 K progress 19.9 200 T -172692.95 -344154.80 -108538.16 280000.00 T= 11088.47 K progress 20.0 Long traj 201 R -181673.21 -350582.19 -111091.02 280000.00 T= 11073.765 K progress 20.1 202 R -152867.57 -328588.55 -104279.02 280000.00 T= 11059.06 K progress 20.2 203 T -141788.70 -320347.59 -101441.12 280000.00 T= 11044.355 K progress 20.3 204 T -95790.80 -319420.32 -96370.47 320000.00 T= 11029.65 K progress 20.4 205 T -82522.06 -304367.92 -98154.14 320000.00 T= 11014.945 K progress 20.5 206 R -84183.27 -312448.21 -91735.06 320000.00 T= 11000.24 K progress 20.6 207 R -79984.65 -308219.63 -91765.01 320000.00 T= 10985.535 K progress 20.7 208 T -26256.15 -269691.28 -76564.87 320000.00 T= 10970.83 K progress 20.8 209 T -22230.93 -265696.02 -76534.91 320000.00 T= 10956.125 K progress 20.9 210 T -182512.32 -267348.05 -75164.28 160000.00 T= 10941.42 K progress 21.0 211 R -138160.64 -261356.06 -76804.58 200000.00 T= 10897.305 K progress 21.1 212 R -173839.52 -261057.05 -72782.46 160000.00 T= 10882.6 K progress 21.2 213 T -132097.96 -322362.75 -89735.21 280000.00 T= 10838.485 K progress 21.3 214 T -239951.67 -315536.21 -84415.46 160000.00 T= 10823.78 K progress 21.4 215 T -244678.37 -317888.30 -86790.07 160000.00 T= 10779.665 K progress 21.5 216 R -242838.59 -317512.35 -85326.24 160000.00 T= 10764.96 K progress 21.6 217 R -312001.95 -336879.76 -95122.20 120000.00 T= 10735.55 K progress 21.7 218 R -300985.99 -327367.98 -93618.01 120000.00 T= 10706.14 K progress 21.8 219 R -307634.79 -334152.93 -93481.86 120000.00 T= 10691.435 K progress 21.9 220 R -309913.99 -333250.98 -96663.01 120000.00 T= 10676.73 K progress 22.0 221 T -50295.76 -286785.08 -83510.68 320000.00 T= 10632.615 K progress 22.1 222 T -100.72 -276021.27 -84079.44 360000.00 T= 10603.205 K progress 22.2 223 R -9111.21 -285648.93 -83462.28 360000.00 T= 10588.5 K progress 22.3 224 R -6817.80 -277963.73 -88854.07 360000.00 T= 10573.795 K progress 22.4 225 R 52450.75 -260160.05 -87389.20 400000.00 T= 10559.09 K progress 22.5 226 T -4451.96 -277996.15 -86455.80 360000.00 T= 10544.385 K progress 22.6 227 R 373.85 -274445.23 -85180.92 360000.00 T= 10529.68 K progress 22.7 228 T -83376.76 -324397.67 -118979.09 360000.00 T= 10500.27 K progress 22.8 229 T -11472.69 -280615.70 -90856.99 360000.00 T= 10470.86 K progress 22.9 230 R -12184.60 -281327.61 -90856.99 360000.00 T= 10456.155 K progress 23.0 231 T -4647.71 -238795.91 -85851.80 320000.00 T= 10441.45 K progress 23.1 232 R -20791.59 -257232.65 -83558.94 320000.00 T= 10426.745 K progress 23.2 233 R -20833.43 -257274.49 -83558.94 320000.00 T= 10397.335 K progress 23.3 234 T 8836.43 -241171.80 -69991.77 320000.00 T= 10367.925 K progress 23.4 235 T 23715.96 -193519.32 -62764.72 280000.00 T= 10353.22 K progress 23.5 236 R 3723.06 -208632.55 -67644.38 280000.00 T= 10338.515 K progress 23.6 237 R 1070.74 -211203.67 -67725.59 280000.00 T= 10323.81 K progress 23.7 238 R 14734.29 -200609.27 -64656.44 280000.00 T= 10309.105 K progress 23.8 239 T -130036.37 -225090.53 -64945.84 160000.00 T= 10294.4 K progress 23.9 240 T -117706.41 -218210.84 -59495.57 160000.00 T= 10264.99 K progress 24.0 241 T -177997.99 -267440.68 -70557.31 160000.00 T= 10235.58 K progress 24.1 242 T -192641.75 -278792.05 -73849.71 160000.00 T= 10206.17 K progress 24.2 243 T -25199.91 -271869.12 -73330.78 320000.00 T= 10176.76 K progress 24.3 244 R -22958.63 -265029.13 -77929.50 320000.00 T= 10147.35 K progress 24.4 245 T -56527.80 -288590.32 -87937.49 320000.00 T= 10132.645 K progress 24.5 246 R -53801.42 -285185.60 -88615.82 320000.00 T= 10117.94 K progress 24.6 247 R -101806.03 -319440.77 -102365.27 320000.00 T= 10103.235 K progress 24.7 248 R -138329.52 -348866.47 -109463.05 320000.00 T= 10059.12 K progress 24.8 249 T -113191.32 -358021.67 -115169.65 360000.00 T= 10015.005 K progress 24.9 250 R -39582.86 -299344.16 -100238.70 360000.00 T= 10000.3 K progress 25.0 251 R -102668.43 -354933.22 -107735.20 360000.00 T= 9970.89 K progress 25.1 252 R -13784.68 -311566.64 -102218.04 400000.00 T= 9926.775 K progress 25.2 253 T -56623.46 -345887.32 -110736.14 400000.00 T= 9912.07 K progress 25.3 254 T -54389.42 -307540.14 -106849.28 360000.00 T= 9882.66 K progress 25.4 255 R -36209.94 -299539.59 -96670.36 360000.00 T= 9867.955 K progress 25.5 256 R -31530.76 -288488.61 -103042.15 360000.00 T= 9853.25 K progress 25.6 257 T -37081.59 -300679.49 -96402.10 360000.00 T= 9823.84 K progress 25.7 258 T -35740.84 -293489.38 -102251.46 360000.00 T= 9809.135 K progress 25.8 259 T -55777.73 -310176.92 -105600.81 360000.00 T= 9794.43 K progress 25.9 260 T -90250.02 -310739.05 -99510.96 320000.00 T= 9779.725 K progress 26.0 261 R -106589.12 -318442.13 -108146.99 320000.00 T= 9691.495 K progress 26.1 262 R -28717.35 -295514.76 -93202.59 360000.00 T= 9676.79 K progress 26.2 263 R -34180.72 -296974.72 -97206.00 360000.00 T= 9647.38 K progress 26.3 264 T -41008.37 -304282.84 -96725.53 360000.00 T= 9617.97 K progress 26.4 265 R -40104.84 -304708.83 -95396.01 360000.00 T= 9603.265 K progress 26.5 266 T -18145.64 -295454.01 -82691.64 360000.00 T= 9588.56 K progress 26.6 267 R -3188.47 -313691.82 -89496.65 400000.00 T= 9573.855 K progress 26.7 268 R -184964.26 -329278.57 -95685.68 240000.00 T= 9559.15 K progress 26.8 269 R -21640.44 -326724.90 -94915.54 400000.00 T= 9529.74 K progress 26.9 270 R -167882.96 -313611.53 -94271.44 240000.00 T= 9515.035 K progress 27.0 271 R -163135.08 -313347.46 -89787.62 240000.00 T= 9485.625 K progress 27.1 272 T -42407.70 -287854.02 -74553.68 320000.00 T= 9426.805 K progress 27.2 273 R -69745.68 -298516.62 -91229.06 320000.00 T= 9412.1 K progress 27.3 274 R -75398.37 -302352.68 -93045.68 320000.00 T= 9397.395 K progress 27.4 275 T -63392.39 -234086.79 -69305.59 240000.00 T= 9382.69 K progress 27.5 276 R -19013.18 -229323.61 -69689.58 280000.00 T= 9367.985 K progress 27.6 277 R -54433.72 -253490.04 -80943.68 280000.00 T= 9353.28 K progress 27.7 278 R -11471.02 -224751.39 -66719.63 280000.00 T= 9338.575 K progress 27.8 279 R -57389.16 -227528.13 -69861.02 240000.00 T= 9323.87 K progress 27.9 280 T -2646.57 -280896.72 -81749.85 360000.00 T= 9309.165 K progress 28.0 281 R 118447.05 -313578.86 -87974.08 520000.00 T= 9279.755 K progress 28.1 282 R 131285.89 -302178.78 -86535.33 520000.00 T= 9265.05 K progress 28.2 283 R 153078.18 -315704.90 -91216.92 560000.00 T= 9235.64 K progress 28.3 284 R 119485.07 -311443.99 -89070.94 520000.00 T= 9220.935 K progress 28.4 285 R 140805.34 -329480.21 -89714.46 560000.00 T= 9206.23 K progress 28.5 286 T -85786.42 -410474.03 -115312.39 440000.00 T= 9176.82 K progress 28.6 287 R -124858.24 -404753.14 -120105.10 400000.00 T= 9162.115 K progress 28.7 288 R -137651.03 -384332.55 -113318.48 360000.00 T= 9088.59 K progress 28.8 289 R -38202.55 -404781.16 -113421.39 480000.00 T= 8970.95 K progress 28.9 290 T -118675.72 -433790.73 -124885.00 440000.00 T= 8956.245 K progress 29.0 291 T -88492.47 -377965.39 -110527.08 400000.00 T= 8941.54 K progress 29.1 292 R -86960.91 -377308.28 -109652.63 400000.00 T= 8897.425 K progress 29.2 293 T -117610.63 -406041.32 -111569.30 400000.00 T= 8868.015 K progress 29.3 294 T -153730.37 -404550.50 -109179.87 360000.00 T= 8853.31 K progress 29.4 295 R -146780.40 -425231.40 -121549.00 400000.00 T= 8838.605 K progress 29.5 296 T -181072.69 -409302.44 -131770.25 360000.00 T= 8794.49 K progress 29.6 297 R -244052.43 -404382.71 -119669.72 280000.00 T= 8779.785 K progress 29.7 298 R -189530.35 -391355.05 -118175.30 320000.00 T= 8647.44 K progress 29.8 299 T -89493.65 -382596.48 -106897.17 400000.00 T= 8603.325 K progress 29.9 300 T -124988.22 -379582.63 -105405.59 360000.00 T= 8544.505 K progress 30.0 301 R -101944.17 -421934.22 -120009.95 440000.00 T= 8515.095 K progress 30.1 302 R -88318.38 -417671.31 -110647.07 440000.00 T= 8485.685 K progress 30.2 303 R -72461.78 -404113.74 -108348.04 440000.00 T= 8426.865 K progress 30.3 304 R -63781.52 -430006.54 -113774.98 480000.00 T= 8412.16 K progress 30.4 305 T -70237.48 -412748.34 -97489.13 440000.00 T= 8368.045 K progress 30.5 306 T -69310.26 -408080.09 -101230.17 440000.00 T= 8353.34 K progress 30.6 307 R -52098.26 -393966.64 -98131.63 440000.00 T= 8338.635 K progress 30.7 308 T -87883.47 -373194.24 -114689.22 400000.00 T= 8323.93 K progress 30.8 309 T -79328.61 -386284.66 -93043.96 400000.00 T= 8309.225 K progress 30.9 310 T -102117.93 -467262.77 -114855.16 480000.00 T= 8279.815 K progress 31.0 311 R -102326.97 -467352.50 -114974.47 480000.00 T= 8265.11 K progress 31.1 312 T -62179.49 -364122.34 -98057.14 400000.00 T= 8118.06 K progress 31.2 313 R -58877.43 -362344.56 -96532.87 400000.00 T= 8103.355 K progress 31.3 314 R -71085.64 -371648.34 -99437.31 400000.00 T= 8044.535 K progress 31.4 315 R -60836.77 -363141.91 -97694.87 400000.00 T= 8029.83 K progress 31.5 316 R -62179.49 -364122.34 -98057.14 400000.00 T= 8015.125 K progress 31.6 317 R -70096.98 -377626.79 -92470.19 400000.00 T= 8000.42 K progress 31.7 318 T -116597.44 -371520.35 -105077.10 360000.00 T= 7912.19 K progress 31.8 319 R -118505.92 -415259.64 -103246.28 400000.00 T= 7868.075 K progress 31.9 320 R -106013.77 -361031.58 -104982.19 360000.00 T= 7853.37 K progress 32.0 321 R -106090.06 -361125.47 -104964.60 360000.00 T= 7823.96 K progress 32.1 322 R -94640.58 -421526.27 -113114.31 440000.00 T= 7794.55 K progress 32.2 323 R -108194.81 -432111.62 -116083.20 440000.00 T= 7735.73 K progress 32.3 324 T -115742.02 -433680.85 -122061.16 440000.00 T= 7706.32 K progress 32.4 325 T -102840.91 -428216.95 -114623.96 440000.00 T= 7676.91 K progress 32.5 326 R -193999.81 -433519.29 -120480.51 360000.00 T= 7647.5 K progress 32.6 327 R -35081.54 -378599.62 -96481.92 440000.00 T= 7603.385 K progress 32.7 328 R -54210.33 -349478.66 -104731.67 400000.00 T= 7588.68 K progress 32.8 329 T -62074.76 -349759.64 -112315.12 400000.00 T= 7529.86 K progress 32.9 330 T -130430.30 -371571.03 -118859.27 360000.00 T= 7515.155 K progress 33.0 331 T -55102.19 -347428.19 -107674.00 400000.00 T= 7500.45 K progress 33.1 332 R -42042.76 -337158.61 -104884.15 400000.00 T= 7485.745 K progress 33.2 333 T -86365.33 -305146.68 -101218.65 320000.00 T= 7471.04 K progress 33.3 334 T -103461.51 -369102.18 -134359.33 400000.00 T= 7456.335 K progress 33.4 335 T -242359.16 -351606.14 -130753.03 240000.00 T= 7441.63 K progress 33.5 336 R -252039.87 -364894.48 -127145.39 240000.00 T= 7397.515 K progress 33.6 337 R -295541.59 -368291.32 -127250.28 200000.00 T= 7368.105 K progress 33.7 338 T -276657.25 -352280.52 -124376.73 200000.00 T= 7353.4 K progress 33.8 339 R -299318.43 -363925.85 -135392.58 200000.00 T= 7323.99 K progress 33.9 340 T -282662.52 -381864.17 -140798.35 240000.00 T= 7279.875 K progress 34.0 341 R -261627.91 -311117.15 -110510.76 160000.00 T= 7103.415 K progress 34.1 342 R -260660.29 -338529.52 -122130.77 200000.00 T= 6985.775 K progress 34.2 343 R 56406.70 -354438.50 -109154.80 520000.00 T= 6926.955 K progress 34.3 344 T -156125.58 -359554.32 -116571.26 320000.00 T= 6912.25 K progress 34.4 345 R -140532.63 -375190.96 -125341.66 360000.00 T= 6897.545 K progress 34.5 346 R -129259.50 -359319.20 -129940.30 360000.00 T= 6882.84 K progress 34.6 347 R -153282.20 -374615.66 -138666.54 360000.00 T= 6868.135 K progress 34.7 348 R -178621.21 -348727.14 -109894.08 280000.00 T= 6838.725 K progress 34.8 349 R -114308.43 -325022.21 -109286.21 320000.00 T= 6824.02 K progress 34.9 350 R -107174.72 -290447.82 -96726.90 280000.00 T= 6809.315 K progress 35.0 351 T -245705.87 -304477.39 -101228.48 160000.00 T= 6794.61 K progress 35.1 352 R -234871.31 -295107.63 -99763.68 160000.00 T= 6750.495 K progress 35.2 353 T -191201.08 -328546.58 -102654.50 240000.00 T= 6735.79 K progress 35.3 354 T -285536.05 -360995.24 -124540.81 200000.00 T= 6721.085 K progress 35.4 355 R -269718.74 -383612.49 -126106.25 240000.00 T= 6676.97 K progress 35.5 356 R -268091.38 -380542.27 -127549.11 240000.00 T= 6647.56 K progress 35.6 357 R -309225.52 -384738.39 -124487.13 200000.00 T= 6603.445 K progress 35.7 358 R -272768.60 -374693.07 -138075.52 240000.00 T= 6397.575 K progress 35.8 359 R -276417.63 -378342.10 -138075.52 240000.00 T= 6382.87 K progress 35.9 360 R -268745.45 -379597.28 -129148.17 240000.00 T= 6309.345 K progress 36.0 361 R -254525.57 -368313.56 -126212.01 240000.00 T= 6294.64 K progress 36.1 362 R -256009.05 -369881.97 -126127.08 240000.00 T= 6279.935 K progress 36.2 363 R -272974.79 -380846.82 -132127.96 240000.00 T= 6250.525 K progress 36.3 364 R -248260.11 -433644.15 -134615.96 320000.00 T= 6235.82 K progress 36.4 365 R -242440.96 -431645.26 -130795.70 320000.00 T= 6191.705 K progress 36.5 366 R -265208.23 -377929.44 -127278.79 240000.00 T= 6177.0 K progress 36.6 367 R -269103.83 -378525.88 -130577.95 240000.00 T= 6147.59 K progress 36.7 368 R -288436.42 -397135.84 -131300.58 240000.00 T= 6132.885 K progress 36.8 369 R -213680.26 -383221.00 -110459.26 280000.00 T= 6088.77 K progress 36.9 370 T -274738.00 -392456.48 -122281.52 240000.00 T= 6074.065 K progress 37.0 371 R -273158.18 -390876.66 -122281.52 240000.00 T= 5941.72 K progress 37.1 372 R -217207.37 -387953.30 -109254.07 280000.00 T= 5794.67 K progress 37.2 373 R -210192.51 -380938.44 -109254.07 280000.00 T= 5765.26 K progress 37.3 374 R -274794.80 -392513.28 -122281.52 240000.00 T= 5574.095 K progress 37.4 375 R -254922.66 -390381.63 -104541.03 240000.00 T= 5515.275 K progress 37.5 376 R -219281.76 -390027.69 -109254.07 280000.00 T= 5500.57 K progress 37.6 377 R -266641.25 -397387.18 -109254.07 240000.00 T= 5471.16 K progress 37.7 378 R -253113.87 -388572.84 -104541.03 240000.00 T= 5441.75 K progress 37.8 379 R -275343.63 -393062.11 -122281.52 240000.00 T= 5412.34 K progress 37.9 380 R -271068.73 -389992.24 -121076.49 240000.00 T= 5368.225 K progress 38.0 381 R -270017.58 -387736.06 -122281.52 240000.00 T= 5309.405 K progress 38.1 382 R -271934.46 -390887.93 -121046.53 240000.00 T= 5235.88 K progress 38.2 383 T -315255.83 -416203.69 -139052.14 240000.00 T= 5162.355 K progress 38.3 384 R -332608.25 -431993.48 -140614.77 240000.00 T= 5132.945 K progress 38.4 385 R -332608.25 -431993.48 -140614.77 240000.00 T= 5088.83 K progress 38.5 386 R -321413.55 -413259.11 -148154.44 240000.00 T= 5074.125 K progress 38.6 387 R -270522.62 -348090.41 -122432.21 200000.00 T= 5059.42 K progress 38.7 388 T -234788.77 -349289.81 -125498.96 240000.00 T= 5030.01 K progress 38.8 389 R -232462.96 -346964.00 -125498.96 240000.00 T= 5015.305 K progress 38.9 390 T -45146.10 -280982.18 -84163.92 320000.00 T= 5000.6 K progress 39.0 391 T -58162.51 -311353.98 -106808.53 360000.00 T= 4985.895 K progress 39.1 392 T -120627.27 -367965.71 -112661.55 360000.00 T= 4956.485 K progress 39.2 393 T -190533.26 -359942.93 -110590.33 280000.00 T= 4897.665 K progress 39.3 394 T -335523.25 -440774.33 -134748.92 240000.00 T= 4868.255 K progress 39.4 395 R -342442.63 -441229.78 -141212.84 240000.00 T= 4838.845 K progress 39.5 396 R -346240.53 -433327.55 -152912.97 240000.00 T= 4794.73 K progress 39.6 397 R -394565.19 -452375.77 -142189.42 200000.00 T= 4765.32 K progress 39.7 398 R -399673.01 -456109.25 -143563.75 200000.00 T= 4750.615 K progress 39.8 399 R -396807.56 -453419.04 -143388.51 200000.00 T= 4677.09 K progress 39.9 400 R -399560.67 -455996.92 -143563.75 200000.00 T= 4662.385 K progress 40.0 Long traj 401 R -360679.33 -424467.79 -136211.54 200000.00 T= 4500.63 K progress 40.1 402 R -356354.64 -423226.56 -133128.08 200000.00 T= 4471.22 K progress 40.2 403 R -347195.02 -435764.44 -151430.58 240000.00 T= 4382.99 K progress 40.3 404 R -363584.01 -457855.97 -145728.04 240000.00 T= 4353.58 K progress 40.4 405 R -353215.36 -440302.39 -152912.97 240000.00 T= 4235.94 K progress 40.5 406 R -358222.31 -453765.71 -144456.60 240000.00 T= 4206.53 K progress 40.6 407 R -356467.73 -452624.23 -143843.50 240000.00 T= 4147.71 K progress 40.7 408 R -352059.16 -450889.12 -141170.04 240000.00 T= 4118.3 K progress 40.8 409 R -366865.49 -458496.48 -148369.01 240000.00 T= 4059.48 K progress 40.9 410 R -333022.33 -433457.34 -139564.99 240000.00 T= 3985.955 K progress 41.0 411 R -339037.45 -437355.26 -141682.18 240000.00 T= 3941.84 K progress 41.1 412 R -316664.71 -423462.38 -133202.33 240000.00 T= 3912.43 K progress 41.2 413 R -317453.11 -415011.91 -142441.20 240000.00 T= 3868.315 K progress 41.3 414 T -383483.84 -476627.88 -146855.97 240000.00 T= 3838.905 K progress 41.4 415 R -376200.64 -474879.28 -141321.36 240000.00 T= 3647.74 K progress 41.5 416 R -375142.16 -470510.99 -144631.17 240000.00 T= 3574.215 K progress 41.6 417 T -388822.58 -480225.29 -148597.29 240000.00 T= 3559.51 K progress 41.7 418 R -391709.47 -476872.56 -154836.91 240000.00 T= 3515.395 K progress 41.8 419 R -394279.37 -483340.31 -150939.06 240000.00 T= 3191.885 K progress 41.9 420 R -407747.31 -497439.94 -150307.37 240000.00 T= 3133.065 K progress 42.0 421 R -387145.10 -477674.61 -149470.48 240000.00 T= 3044.835 K progress 42.1 422 R -403383.51 -488698.57 -154684.95 240000.00 T= 2838.965 K progress 42.2 423 R -406728.36 -490628.93 -156099.43 240000.00 T= 2721.325 K progress 42.3 424 T -433479.95 -451162.64 -142317.31 160000.00 T= 2691.915 K progress 42.4 425 R -429522.01 -449386.83 -140135.18 160000.00 T= 2647.8 K progress 42.5 426 R -421380.78 -439760.44 -141620.34 160000.00 T= 2147.83 K progress 42.6 427 R -421231.82 -440364.96 -140866.86 160000.00 T= 2118.42 K progress 42.7 428 R -414586.61 -434775.86 -139810.75 160000.00 T= 2030.19 K progress 42.8 429 T -371466.28 -404497.11 -126969.17 160000.00 T= 2015.485 K progress 42.9 430 R -372758.57 -405789.40 -126969.17 160000.00 T= 1986.075 K progress 43.0 431 R -372804.98 -405835.81 -126969.17 160000.00 T= 1956.665 K progress 43.1 432 T -426982.28 -409165.58 -137816.71 120000.00 T= 1912.55 K progress 43.2 433 R -438366.84 -414642.70 -143724.14 120000.00 T= 1647.86 K progress 43.3 434 T -440983.31 -422137.05 -138846.26 120000.00 T= 1618.45 K progress 43.4 435 R -440901.97 -422088.00 -138813.96 120000.00 T= 1486.105 K progress 43.5 436 R -439850.91 -420923.20 -138927.71 120000.00 T= 1471.4 K progress 43.6 437 R -439671.26 -420857.29 -138813.96 120000.00 T= 1427.285 K progress 43.7 438 R -439481.42 -422095.49 -137385.93 120000.00 T= 1353.76 K progress 43.8 439 T -451839.42 -425197.51 -146641.90 120000.00 T= 1162.595 K progress 43.9 440 R -451839.42 -425197.51 -146641.90 120000.00 T= 839.085 K progress 44.0 441 R -449400.05 -423423.73 -145976.31 120000.00 T= 647.92 K progress 44.1 442 R -455547.83 -428876.00 -146671.83 120000.00 T= 500.87 K progress 44.2 443 R -453660.61 -426920.52 -146740.08 120000.00 T= 456.755 K progress 44.3 msg save long traj Save long msg save best.pdb msg save plot e_step.png start - parameters: File name /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_1784/prot-na_1784.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_1784/prot-na_1784.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Missed atom CG in the LYS 94 Missed atom CD in the LYS 94 Missed atom CE in the LYS 94 Missed atom NZ in the LYS 94 Missed atom CG in the LYS 97 Missed atom CD in the LYS 97 Missed atom CE in the LYS 97 Missed atom NZ in the LYS 97 Missed atom OG in the SER 99 Missed atom CG in the LYS 103 Missed atom CD in the LYS 103 Missed atom CE in the LYS 103 Missed atom NZ in the LYS 103 Missed atom CG in the LYS 136 Missed atom CD in the LYS 136 Missed atom CE in the LYS 136 Missed atom NZ in the LYS 136 Missed atom CG in the LYS 137 Missed atom CD in the LYS 137 Missed atom CE in the LYS 137 Missed atom NZ in the LYS 137 Missed atom CG in the GLU 145 Missed atom CD in the GLU 145 Missed atom OE1 in the GLU 145 Missed atom OE2 in the GLU 145 Missed atom CG in the ARG 174 Missed atom CD in the ARG 174 Missed atom NE in the ARG 174 Missed atom CZ in the ARG 174 Missed atom NH1 in the ARG 174 Missed atom NH2 in the ARG 174 Missed atom CG in the ARG 188 Missed atom CD in the ARG 188 Missed atom NE in the ARG 188 Missed atom CZ in the ARG 188 Missed atom NH1 in the ARG 188 Missed atom NH2 in the ARG 188 Missed atom CG in the GLN 190 Missed atom CD in the GLN 190 Missed atom OE1 in the GLN 190 Missed atom NE2 in the GLN 190 Missed atom CG in the LYS 191 Missed atom CD in the LYS 191 Missed atom CE in the LYS 191 Missed atom NZ in the LYS 191 0 - -292111.83 -690290.66 -161821.16 560000.00 1 T -492042.55 -661557.78 -150484.77 320000.00 T= 14985.295 K progress 0.1 2 T -255745.84 -576055.17 -119690.67 440000.00 T= 14823.54 K progress 0.2 3 R -176834.85 -534693.38 -122141.47 480000.00 T= 14808.835 K progress 0.3 4 R -170342.42 -528347.43 -121994.99 480000.00 T= 14779.425 K progress 0.4 5 R -256035.93 -575133.30 -120902.64 440000.00 T= 14764.72 K progress 0.5 6 T -359945.92 -577341.84 -142604.08 360000.00 T= 14750.015 K progress 0.6 7 R -228088.22 -604562.53 -143525.69 520000.00 T= 14691.195 K progress 0.7 8 R -386347.96 -604441.83 -141906.13 360000.00 T= 14661.785 K progress 0.8 9 R -384083.81 -602177.68 -141906.13 360000.00 T= 14632.375 K progress 0.9 10 R -368050.86 -591525.59 -136525.27 360000.00 T= 14617.67 K progress 1.0 11 R -370639.52 -594114.25 -136525.27 360000.00 T= 14588.26 K progress 1.1 12 T -385255.39 -611602.47 -133652.92 360000.00 T= 14573.555 K progress 1.2 13 R -386858.14 -606342.75 -140515.39 360000.00 T= 14558.85 K progress 1.3 14 R -412575.87 -589192.21 -143383.66 320000.00 T= 14544.145 K progress 1.4 15 R -390990.94 -610448.70 -140542.24 360000.00 T= 14441.21 K progress 1.5 16 R -278551.06 -563966.34 -114584.71 400000.00 T= 14426.505 K progress 1.6 17 R -288328.38 -570757.83 -117570.55 400000.00 T= 14382.39 K progress 1.7 18 T -202649.26 -584828.85 -137820.41 520000.00 T= 14338.275 K progress 1.8 19 R -219796.71 -598832.49 -140964.22 520000.00 T= 14308.865 K progress 1.9 20 R -285244.33 -622740.67 -142503.66 480000.00 T= 14235.34 K progress 2.0 21 R -264483.34 -613231.90 -131251.45 480000.00 T= 14220.635 K progress 2.1 22 R -258607.39 -607231.10 -131376.30 480000.00 T= 14161.815 K progress 2.2 23 R -103254.92 -673399.45 -109855.47 680000.00 T= 14147.11 K progress 2.3 24 R -94587.05 -663501.63 -111085.42 680000.00 T= 14132.405 K progress 2.4 25 T -77067.05 -633610.88 -123456.17 680000.00 T= 14117.7 K progress 2.5 26 T -159009.97 -632880.09 -126129.88 600000.00 T= 14088.29 K progress 2.6 27 T -503778.65 -694753.85 -169024.79 360000.00 T= 14073.585 K progress 2.7 28 T -390936.76 -651364.22 -139572.55 400000.00 T= 14044.175 K progress 2.8 29 T -359085.99 -660985.94 -138100.04 440000.00 T= 13985.355 K progress 2.9 30 R -392091.23 -678624.60 -153466.63 440000.00 T= 13941.24 K progress 3.0 31 T -245954.06 -657463.62 -148490.44 560000.00 T= 13926.535 K progress 3.1 32 R -165602.96 -632237.05 -133365.92 600000.00 T= 13882.42 K progress 3.2 33 T -241920.85 -653192.18 -148728.67 560000.00 T= 13867.715 K progress 3.3 34 R -240924.04 -648914.36 -152009.69 560000.00 T= 13823.6 K progress 3.4 35 R -190137.30 -636329.62 -153807.68 600000.00 T= 13764.78 K progress 3.5 36 R -282261.99 -606615.55 -155646.44 480000.00 T= 13750.075 K progress 3.6 37 R -187124.60 -621358.96 -165765.64 600000.00 T= 13735.37 K progress 3.7 38 R -282494.97 -606848.53 -155646.44 480000.00 T= 13720.665 K progress 3.8 39 T -318817.94 -550088.79 -128729.15 360000.00 T= 13705.96 K progress 3.9 40 R -395947.75 -579033.58 -136914.18 320000.00 T= 13691.255 K progress 4.0 41 R -276076.84 -513505.98 -122570.86 360000.00 T= 13676.55 K progress 4.1 42 T -374492.84 -508894.02 -105598.82 240000.00 T= 13661.845 K progress 4.2 43 R -417422.61 -555372.72 -102049.89 240000.00 T= 13647.14 K progress 4.3 44 T -297946.24 -547722.32 -110223.92 360000.00 T= 13603.025 K progress 4.4 45 R -189511.24 -557897.44 -111613.80 480000.00 T= 13588.32 K progress 4.5 46 R -111265.61 -533750.58 -97515.03 520000.00 T= 13558.91 K progress 4.6 47 R -167799.79 -510123.23 -97676.56 440000.00 T= 13544.205 K progress 4.7 48 T -236073.29 -501683.48 -94389.81 360000.00 T= 13514.795 K progress 4.8 49 R -304218.66 -487261.19 -96957.48 280000.00 T= 13500.09 K progress 4.9 50 R -316233.45 -496389.75 -99843.70 280000.00 T= 13470.68 K progress 5.0 51 T -409620.74 -535489.35 -114131.39 240000.00 T= 13426.565 K progress 5.1 52 T -166161.74 -472641.90 -93519.84 400000.00 T= 13397.155 K progress 5.2 53 T -148656.62 -462233.90 -86422.72 400000.00 T= 13367.745 K progress 5.3 54 R -142658.97 -454814.63 -87844.34 400000.00 T= 13353.04 K progress 5.4 55 R -145157.76 -457657.34 -87500.42 400000.00 T= 13338.335 K progress 5.5 56 R -149157.53 -460089.75 -89067.78 400000.00 T= 13323.63 K progress 5.6 57 R -110441.23 -420648.60 -89792.63 400000.00 T= 13308.925 K progress 5.7 58 T -378239.12 -507215.75 -111023.37 240000.00 T= 13294.22 K progress 5.8 59 R -224137.03 -494162.76 -89974.28 360000.00 T= 13264.81 K progress 5.9 60 R -216653.45 -483364.45 -93289.00 360000.00 T= 13220.695 K progress 6.0 61 R -237721.22 -445203.19 -72518.03 280000.00 T= 13205.99 K progress 6.1 62 T -304227.13 -479545.52 -104681.60 280000.00 T= 13191.285 K progress 6.2 63 R -194679.87 -463281.03 -91398.84 360000.00 T= 13161.875 K progress 6.3 64 R -205314.70 -468110.70 -97204.00 360000.00 T= 13103.055 K progress 6.4 65 T -217141.28 -437567.84 -99573.44 320000.00 T= 13014.825 K progress 6.5 66 T -263255.43 -441497.39 -101758.04 280000.00 T= 12985.415 K progress 6.6 67 R -208393.20 -460360.83 -108032.37 360000.00 T= 12926.595 K progress 6.7 68 R -191328.77 -443534.54 -107794.22 360000.00 T= 12911.89 K progress 6.8 69 T -232191.16 -412775.31 -99415.85 280000.00 T= 12897.185 K progress 6.9 70 R -249616.68 -419018.18 -110598.51 280000.00 T= 12882.48 K progress 7.0 71 T -179471.87 -371483.41 -87988.45 280000.00 T= 12867.775 K progress 7.1 72 T -219005.00 -332110.21 -86894.79 200000.00 T= 12853.07 K progress 7.2 73 R -245254.03 -358742.67 -86511.36 200000.00 T= 12823.66 K progress 7.3 74 R -260780.36 -372713.59 -88066.77 200000.00 T= 12808.955 K progress 7.4 75 R -353163.23 -348441.16 -84722.07 80000.00 T= 12794.25 K progress 7.5 76 R -268540.34 -411815.46 -96724.88 240000.00 T= 12764.84 K progress 7.6 77 T -363357.15 -329588.89 -73768.26 40000.00 T= 12750.135 K progress 7.7 78 R -232336.13 -353788.76 -78547.37 200000.00 T= 12735.43 K progress 7.8 79 T -359402.47 -326576.29 -72826.18 40000.00 T= 12720.725 K progress 7.9 80 T -346331.45 -279356.41 -66975.04 0.00 T= 12706.02 K progress 8.0 81 T -243930.08 -194566.51 -49363.57 0.00 T= 12676.61 K progress 8.1 82 R -228910.76 -182133.05 -46777.71 0.00 T= 12632.495 K progress 8.2 83 R -238978.90 -190987.04 -47991.86 0.00 T= 12617.79 K progress 8.3 84 R -258433.99 -203107.28 -55326.71 0.00 T= 12603.085 K progress 8.4 85 R -249412.46 -195668.27 -53744.20 0.00 T= 12588.38 K progress 8.5 86 T -224781.84 -181206.87 -43574.97 0.00 T= 12573.675 K progress 8.6 87 T -254946.64 -205514.88 -49431.76 0.00 T= 12558.97 K progress 8.7 88 R -260395.83 -210913.88 -49481.96 0.00 T= 12544.265 K progress 8.8 89 T -226930.78 -182081.86 -44848.92 0.00 T= 12529.56 K progress 8.9 90 R -222534.32 -174869.54 -47664.78 0.00 T= 12514.855 K progress 9.0 91 R -226930.78 -182081.86 -44848.92 0.00 T= 12500.15 K progress 9.1 92 R -211614.80 -172789.76 -38825.04 0.00 T= 12485.445 K progress 9.2 93 R -218738.84 -173889.92 -44848.92 0.00 T= 12470.74 K progress 9.3 94 T -182367.49 -141678.78 -40688.71 0.00 T= 12441.33 K progress 9.4 95 T -151497.42 -122634.77 -28862.64 0.00 T= 12426.625 K progress 9.5 96 R -147532.00 -117101.14 -30430.86 0.00 T= 12411.92 K progress 9.6 97 R -172358.91 -136137.60 -36221.31 0.00 T= 12397.215 K progress 9.7 98 R -168444.56 -135134.03 -33310.53 0.00 T= 12382.51 K progress 9.8 99 T -140049.37 -112741.29 -27308.09 0.00 T= 12367.805 K progress 9.9 100 T -162022.63 -128793.15 -33229.48 0.00 T= 12353.1 K progress 10.0 101 R -162022.63 -128793.15 -33229.48 0.00 T= 12338.395 K progress 10.1 102 T -143920.70 -113590.06 -30330.64 0.00 T= 12323.69 K progress 10.2 103 R -177340.93 -142873.95 -34466.98 0.00 T= 12308.985 K progress 10.3 104 R -259434.61 -215831.90 -43602.71 0.00 T= 12294.28 K progress 10.4 105 T -230331.05 -188284.78 -42046.27 0.00 T= 12279.575 K progress 10.5 106 R -223584.58 -184772.22 -38812.35 0.00 T= 12264.87 K progress 10.6 107 R -227874.40 -187592.92 -40281.48 0.00 T= 12250.165 K progress 10.7 108 T -227873.75 -191022.92 -36850.83 0.00 T= 12235.46 K progress 10.8 109 T -245616.09 -230726.77 -54889.32 40000.00 T= 12220.755 K progress 10.9 110 R -111328.13 -288313.55 -63014.58 240000.00 T= 12206.05 K progress 11.0 111 R -257172.35 -240666.18 -56506.16 40000.00 T= 12191.345 K progress 11.1 112 T -90013.55 -232384.27 -57629.28 200000.00 T= 12117.82 K progress 11.2 113 R -93936.20 -236306.92 -57629.28 200000.00 T= 12103.115 K progress 11.3 114 T -85215.22 -225787.44 -59427.78 200000.00 T= 12073.705 K progress 11.4 115 T -189098.74 -181078.56 -48020.18 40000.00 T= 12044.295 K progress 11.5 116 T -187675.59 -178199.47 -49476.13 40000.00 T= 12029.59 K progress 11.6 117 R -170917.13 -132237.83 -38679.30 0.00 T= 12014.885 K progress 11.7 118 R -173479.22 -136437.73 -37041.50 0.00 T= 12000.18 K progress 11.8 119 T -167228.62 -164209.30 -43019.32 40000.00 T= 11985.475 K progress 11.9 120 R -208831.09 -198115.35 -50715.73 40000.00 T= 11970.77 K progress 12.0 121 R -15474.08 -234372.88 -61101.20 280000.00 T= 11941.36 K progress 12.1 122 T -185718.03 -242318.96 -63399.07 120000.00 T= 11926.655 K progress 12.2 123 R -11136.58 -231190.25 -59946.33 280000.00 T= 11911.95 K progress 12.3 124 T -136041.49 -205451.13 -50590.36 120000.00 T= 11897.245 K progress 12.4 125 T -23757.48 -215637.65 -48119.83 240000.00 T= 11867.835 K progress 12.5 126 R -18048.97 -208572.45 -49476.52 240000.00 T= 11853.13 K progress 12.6 127 R -88275.62 -137136.58 -31139.04 80000.00 T= 11838.425 K progress 12.7 128 R 12572.03 -180954.25 -46473.72 240000.00 T= 11823.72 K progress 12.8 129 R -15613.08 -210352.29 -45260.79 240000.00 T= 11809.015 K progress 12.9 130 R -233153.64 -222055.94 -51097.70 40000.00 T= 11794.31 K progress 13.0 131 R -230618.49 -219520.79 -51097.70 40000.00 T= 11779.605 K progress 13.1 132 T -165149.73 -224906.73 -60243.00 120000.00 T= 11764.9 K progress 13.2 133 R -241477.23 -227109.06 -54368.16 40000.00 T= 11735.49 K progress 13.3 134 T -122684.10 -218625.44 -64058.66 160000.00 T= 11632.555 K progress 13.4 135 T -82889.46 -223369.85 -59519.61 200000.00 T= 11617.85 K progress 13.5 136 T 34656.90 -257900.56 -67442.54 360000.00 T= 11588.44 K progress 13.6 137 R -59898.02 -232364.89 -67533.14 240000.00 T= 11529.62 K progress 13.7 138 R -72963.26 -242884.99 -70078.27 240000.00 T= 11500.21 K progress 13.8 139 T -32167.80 -207123.24 -65044.55 240000.00 T= 11441.39 K progress 13.9 140 R -140092.63 -200400.15 -59692.48 120000.00 T= 11426.685 K progress 14.0 141 R -134820.98 -137043.31 -37777.67 40000.00 T= 11411.98 K progress 14.1 142 T -129763.29 -131626.47 -38136.82 40000.00 T= 11397.275 K progress 14.2 143 R -191425.62 -150340.35 -41085.28 0.00 T= 11382.57 K progress 14.3 144 T -204620.28 -161949.45 -42670.83 0.00 T= 11353.16 K progress 14.4 145 R -204900.10 -160723.27 -44176.83 0.00 T= 11323.75 K progress 14.5 146 R -198482.85 -155812.02 -42670.83 0.00 T= 11309.045 K progress 14.6 147 T -163344.94 -194831.30 -48513.65 80000.00 T= 11279.635 K progress 14.7 148 T -197195.94 -190122.93 -47073.01 40000.00 T= 11235.52 K progress 14.8 149 R -169436.71 -203287.81 -46148.90 80000.00 T= 11220.815 K progress 14.9 150 R -171554.97 -200726.94 -50828.03 80000.00 T= 11161.995 K progress 15.0 151 R -201433.63 -196551.43 -44882.20 40000.00 T= 11147.29 K progress 15.1 152 T -192742.52 -154630.00 -38112.52 0.00 T= 11132.585 K progress 15.2 153 T -193302.62 -150762.99 -42539.63 0.00 T= 11073.765 K progress 15.3 154 R -193471.79 -150932.16 -42539.63 0.00 T= 11059.06 K progress 15.4 155 R -179725.07 -176309.54 -43415.53 40000.00 T= 11044.355 K progress 15.5 156 T -187464.26 -182024.98 -45439.29 40000.00 T= 11029.65 K progress 15.6 157 T -186596.42 -179661.74 -46934.68 40000.00 T= 11000.24 K progress 15.7 158 R -186596.42 -179661.74 -46934.68 40000.00 T= 10985.535 K progress 15.8 159 T -190294.32 -155259.64 -35034.68 0.00 T= 10970.83 K progress 15.9 160 R -197745.01 -159835.74 -37909.27 0.00 T= 10956.125 K progress 16.0 161 T -141815.27 -114908.63 -26906.64 0.00 T= 10926.715 K progress 16.1 162 R -151721.16 -124814.52 -26906.64 0.00 T= 10912.01 K progress 16.2 163 T -204168.87 -161784.88 -42383.99 0.00 T= 10897.305 K progress 16.3 164 R -147106.70 -144465.48 -42641.23 40000.00 T= 10882.6 K progress 16.4 165 T -149298.03 -151259.79 -38038.24 40000.00 T= 10867.895 K progress 16.5 166 T -130632.71 -130957.40 -39675.31 40000.00 T= 10853.19 K progress 16.6 167 R -139825.22 -106454.49 -33370.73 0.00 T= 10838.485 K progress 16.7 168 T -133171.29 -133539.76 -39631.53 40000.00 T= 10809.075 K progress 16.8 169 R -150838.72 -117407.15 -33431.57 0.00 T= 10794.37 K progress 16.9 170 T -136042.82 -107096.14 -28946.68 0.00 T= 10779.665 K progress 17.0 171 T -77386.47 -93692.21 -23694.26 40000.00 T= 10764.96 K progress 17.1 172 T -117475.98 -128474.20 -29001.77 40000.00 T= 10735.55 K progress 17.2 173 T -179287.45 -172257.20 -47030.24 40000.00 T= 10720.845 K progress 17.3 174 T -205612.13 -200551.59 -45060.54 40000.00 T= 10706.14 K progress 17.4 175 R -200615.20 -226674.26 -53940.94 80000.00 T= 10691.435 K progress 17.5 176 R -194161.76 -220462.44 -53699.32 80000.00 T= 10662.025 K progress 17.6 177 T -179757.53 -207428.99 -52328.54 80000.00 T= 10647.32 K progress 17.7 178 T -182945.79 -181004.98 -41940.81 40000.00 T= 10632.615 K progress 17.8 179 R -188227.05 -184679.37 -43547.67 40000.00 T= 10603.205 K progress 17.9 180 T -244868.64 -200086.85 -44781.79 0.00 T= 10588.5 K progress 18.0 181 T -221386.78 -213723.15 -47663.63 40000.00 T= 10559.09 K progress 18.1 182 T -243473.96 -229835.14 -53638.82 40000.00 T= 10544.385 K progress 18.2 183 R -254217.57 -240594.43 -53623.13 40000.00 T= 10529.68 K progress 18.3 184 R -191128.01 -218023.76 -53104.26 80000.00 T= 10514.975 K progress 18.4 185 R -230207.43 -220010.50 -50196.93 40000.00 T= 10485.565 K progress 18.5 186 R -191120.89 -214864.11 -56256.78 80000.00 T= 10470.86 K progress 18.6 187 T -232352.15 -215099.26 -57252.89 40000.00 T= 10441.45 K progress 18.7 188 R -222371.07 -207999.32 -54371.75 40000.00 T= 10426.745 K progress 18.8 189 R -205409.80 -226021.58 -59388.21 80000.00 T= 10412.04 K progress 18.9 190 R -208463.79 -229075.57 -59388.21 80000.00 T= 10382.63 K progress 19.0 191 R -158778.99 -224131.42 -54647.56 120000.00 T= 10367.925 K progress 19.1 192 T 9433.93 -212805.06 -57761.01 280000.00 T= 10353.22 K progress 19.2 193 T 6631.02 -245938.68 -67430.30 320000.00 T= 10338.515 K progress 19.3 194 R -28662.31 -212527.43 -56134.89 240000.00 T= 10323.81 K progress 19.4 195 R -1921.88 -252913.07 -69008.81 320000.00 T= 10309.105 K progress 19.5 196 R -7239.73 -257239.39 -70000.34 320000.00 T= 10294.4 K progress 19.6 197 T -46440.59 -286121.08 -80319.52 320000.00 T= 10250.285 K progress 19.7 198 T -227035.07 -301621.09 -85413.98 160000.00 T= 10235.58 K progress 19.8 199 R -190939.25 -273414.23 -77525.02 160000.00 T= 10220.875 K progress 19.9 200 T -53448.32 -229098.59 -64349.73 240000.00 T= 10103.235 K progress 20.0 Long traj 201 T -209620.07 -286461.13 -83158.94 160000.00 T= 10088.53 K progress 20.1 202 T -187772.55 -280103.65 -67668.90 160000.00 T= 10059.12 K progress 20.2 203 R -184230.18 -276561.29 -67668.90 160000.00 T= 10044.415 K progress 20.3 204 R -186963.75 -279207.93 -67755.81 160000.00 T= 10029.71 K progress 20.4 205 R -219226.41 -274631.37 -64595.04 120000.00 T= 10000.3 K progress 20.5 206 R -220951.43 -276356.39 -64595.04 120000.00 T= 9985.595 K progress 20.6 207 T -233107.24 -249776.29 -63330.96 80000.00 T= 9941.48 K progress 20.7 208 R -249168.29 -227096.69 -62071.59 40000.00 T= 9926.775 K progress 20.8 209 R -245955.92 -229482.90 -56473.02 40000.00 T= 9912.07 K progress 20.9 210 T -284332.94 -291969.90 -72363.04 80000.00 T= 9897.365 K progress 21.0 211 T -220595.21 -209853.80 -50741.40 40000.00 T= 9867.955 K progress 21.1 212 T -164245.94 -161085.84 -43160.10 40000.00 T= 9853.25 K progress 21.2 213 R -150315.78 -153189.97 -37125.81 40000.00 T= 9838.545 K progress 21.3 214 R -157770.32 -123112.53 -34657.78 0.00 T= 9823.84 K progress 21.4 215 R -161087.53 -131072.20 -30015.33 0.00 T= 9809.135 K progress 21.5 216 T -173696.95 -137933.80 -35763.14 0.00 T= 9794.43 K progress 21.6 217 R -174584.19 -138821.04 -35763.14 0.00 T= 9779.725 K progress 21.7 218 T -192765.97 -152109.19 -40656.78 0.00 T= 9765.02 K progress 21.8 219 R -174304.42 -141085.85 -33218.57 0.00 T= 9750.315 K progress 21.9 220 T -211105.75 -198048.82 -53056.93 40000.00 T= 9735.61 K progress 22.0 221 R -238570.09 -182572.39 -55997.70 0.00 T= 9720.905 K progress 22.1 222 R -230338.90 -182909.46 -47429.44 0.00 T= 9706.2 K progress 22.2 223 R -226051.24 -176835.79 -49215.44 0.00 T= 9691.495 K progress 22.3 224 T -232517.65 -183541.77 -48975.87 0.00 T= 9676.79 K progress 22.4 225 R -232218.56 -183242.69 -48975.87 0.00 T= 9662.085 K progress 22.5 226 T -261457.65 -206618.46 -54839.19 0.00 T= 9647.38 K progress 22.6 227 R -271408.52 -215300.66 -56107.86 0.00 T= 9632.675 K progress 22.7 228 T -191737.00 -155871.54 -35865.46 0.00 T= 9617.97 K progress 22.8 229 R -199499.60 -159102.44 -40397.15 0.00 T= 9588.56 K progress 22.9 230 R -199783.92 -159286.08 -40497.84 0.00 T= 9573.855 K progress 23.0 231 T -184084.67 -152426.20 -31658.48 0.00 T= 9544.445 K progress 23.1 232 R -190399.14 -152739.93 -37659.22 0.00 T= 9529.74 K progress 23.2 233 R -184548.11 -145469.22 -39078.89 0.00 T= 9515.035 K progress 23.3 234 R -170645.53 -140301.47 -30344.05 0.00 T= 9500.33 K progress 23.4 235 T -162907.86 -137078.23 -25829.63 0.00 T= 9485.625 K progress 23.5 236 R -153040.26 -131989.13 -21051.13 0.00 T= 9470.92 K progress 23.6 237 T -198736.46 -167093.71 -31642.74 0.00 T= 9456.215 K progress 23.7 238 T -172532.07 -145355.97 -27176.11 0.00 T= 9441.51 K progress 23.8 239 T -201819.57 -158891.21 -42928.36 0.00 T= 9426.805 K progress 23.9 240 R -218281.47 -173821.82 -44459.65 0.00 T= 9397.395 K progress 24.0 241 R -234278.36 -185186.85 -49091.51 0.00 T= 9382.69 K progress 24.1 242 R -234978.16 -185997.60 -48980.56 0.00 T= 9367.985 K progress 24.2 243 R -234139.73 -183848.16 -50291.57 0.00 T= 9353.28 K progress 24.3 244 T -225404.25 -177738.11 -47666.14 0.00 T= 9338.575 K progress 24.4 245 R -272074.60 -222920.81 -49153.78 0.00 T= 9309.165 K progress 24.5 246 R -231051.54 -221604.44 -49447.11 40000.00 T= 9279.755 K progress 24.6 247 T -289319.77 -234285.19 -55034.58 0.00 T= 9250.345 K progress 24.7 248 R -295020.45 -272836.87 -62183.58 40000.00 T= 9206.23 K progress 24.8 249 T -314230.63 -284682.65 -69547.98 40000.00 T= 9176.82 K progress 24.9 250 T -287502.22 -297794.41 -69707.80 80000.00 T= 9162.115 K progress 25.0 251 R -315544.47 -251494.37 -64050.10 0.00 T= 9147.41 K progress 25.1 252 R -327746.40 -257509.43 -70236.97 0.00 T= 9132.705 K progress 25.2 253 R -330121.84 -260003.07 -70118.77 0.00 T= 9118.0 K progress 25.3 254 R -307544.37 -275961.46 -71582.91 40000.00 T= 9103.295 K progress 25.4 255 T -290490.00 -232524.96 -57965.04 0.00 T= 9088.59 K progress 25.5 256 T -270844.72 -247115.87 -63728.85 40000.00 T= 9073.885 K progress 25.6 257 R -285264.86 -258428.14 -66836.73 40000.00 T= 9059.18 K progress 25.7 258 R -270175.09 -248080.61 -62094.47 40000.00 T= 9044.475 K progress 25.8 259 T -257877.51 -277574.24 -60303.27 80000.00 T= 9029.77 K progress 25.9 260 T -252885.91 -226577.75 -66308.17 40000.00 T= 9015.065 K progress 26.0 261 R -279812.97 -247524.19 -72288.78 40000.00 T= 9000.36 K progress 26.1 262 R -267668.92 -237767.83 -69901.09 40000.00 T= 8970.95 K progress 26.2 263 T -257689.01 -268130.54 -69558.48 80000.00 T= 8956.245 K progress 26.3 264 R -226836.55 -243241.74 -63594.81 80000.00 T= 8926.835 K progress 26.4 265 R -311083.95 -248586.54 -62497.41 0.00 T= 8912.13 K progress 26.5 266 T -331574.78 -263226.06 -68348.72 0.00 T= 8897.425 K progress 26.6 267 R -268568.33 -211938.78 -56629.55 0.00 T= 8882.72 K progress 26.7 268 R -265857.27 -210731.66 -55125.62 0.00 T= 8868.015 K progress 26.8 269 T -298927.99 -235148.64 -63779.36 0.00 T= 8853.31 K progress 26.9 270 R -295953.08 -233272.82 -62680.26 0.00 T= 8838.605 K progress 27.0 271 R -287648.47 -226732.61 -60915.86 0.00 T= 8823.9 K progress 27.1 272 R -290435.38 -229519.52 -60915.86 0.00 T= 8809.195 K progress 27.2 273 R -302667.53 -238539.33 -64128.20 0.00 T= 8794.49 K progress 27.3 274 R -288693.19 -229223.23 -59469.96 0.00 T= 8779.785 K progress 27.4 275 T -324775.90 -249236.38 -75539.52 0.00 T= 8765.08 K progress 27.5 276 R -331809.99 -255373.67 -76436.32 0.00 T= 8750.375 K progress 27.6 277 T -249423.56 -198569.02 -50854.54 0.00 T= 8735.67 K progress 27.7 278 T -319396.90 -246291.83 -73105.07 0.00 T= 8720.965 K progress 27.8 279 R -291526.32 -230730.23 -60796.09 0.00 T= 8706.26 K progress 27.9 280 R -295986.24 -232000.56 -63985.68 0.00 T= 8691.555 K progress 28.0 281 R -311969.74 -251801.47 -60168.26 0.00 T= 8676.85 K progress 28.1 282 R -324144.15 -260949.32 -63194.83 0.00 T= 8632.735 K progress 28.2 283 T -255373.81 -303199.62 -72174.19 120000.00 T= 8588.62 K progress 28.3 284 T -237623.03 -311056.34 -86566.69 160000.00 T= 8573.915 K progress 28.4 285 R -237623.03 -311056.34 -86566.69 160000.00 T= 8559.21 K progress 28.5 286 T -367043.20 -284251.13 -82792.07 0.00 T= 8544.505 K progress 28.6 287 T -305526.67 -342723.82 -82802.85 120000.00 T= 8515.095 K progress 28.7 288 R -288073.81 -333243.94 -74829.87 120000.00 T= 8500.39 K progress 28.8 289 R -237876.63 -350485.02 -87391.61 200000.00 T= 8470.98 K progress 28.9 290 T -205900.60 -321014.99 -84885.61 200000.00 T= 8456.275 K progress 29.0 291 R -336158.64 -332415.22 -83743.42 80000.00 T= 8441.57 K progress 29.1 292 T -352788.55 -308674.40 -84114.14 40000.00 T= 8412.16 K progress 29.2 293 R -267862.49 -274374.92 -73487.57 80000.00 T= 8397.455 K progress 29.3 294 T -160040.80 -358611.82 -81428.97 280000.00 T= 8382.75 K progress 29.4 295 R -100296.63 -337349.02 -82947.60 320000.00 T= 8368.045 K progress 29.5 296 T -172868.13 -365946.41 -86921.72 280000.00 T= 8353.34 K progress 29.6 297 T -138222.15 -371101.70 -87120.45 320000.00 T= 8338.635 K progress 29.7 298 R -147569.18 -380381.39 -87187.79 320000.00 T= 8323.93 K progress 29.8 299 R -247748.41 -396195.26 -91553.15 240000.00 T= 8294.52 K progress 29.9 300 T -303132.13 -311956.84 -71175.29 80000.00 T= 8279.815 K progress 30.0 301 R -345943.87 -307262.60 -78681.27 40000.00 T= 8265.11 K progress 30.1 302 R -335342.92 -292822.32 -82520.60 40000.00 T= 8250.405 K progress 30.2 303 T -342591.24 -336226.93 -86364.31 80000.00 T= 8235.7 K progress 30.3 304 T -314168.35 -313721.98 -80446.38 80000.00 T= 8206.29 K progress 30.4 305 R -283072.16 -316693.63 -86378.53 120000.00 T= 8191.585 K progress 30.5 306 T -302345.46 -299339.25 -83006.21 80000.00 T= 8176.88 K progress 30.6 307 R -277819.07 -318235.86 -79583.21 120000.00 T= 8147.47 K progress 30.7 308 T -265472.67 -305357.11 -80115.56 120000.00 T= 8132.765 K progress 30.8 309 R -263113.96 -304531.42 -78582.55 120000.00 T= 8118.06 K progress 30.9 310 R -258775.80 -301661.84 -77113.97 120000.00 T= 8088.65 K progress 31.0 311 R -300949.20 -271368.62 -69580.58 40000.00 T= 8044.535 K progress 31.1 312 T -255157.45 -264548.26 -70609.19 80000.00 T= 8029.83 K progress 31.2 313 T -279266.66 -224027.20 -55239.45 0.00 T= 8000.42 K progress 31.3 314 R -283111.93 -226427.66 -56684.27 0.00 T= 7971.01 K progress 31.4 315 T -308086.36 -241056.26 -67030.10 0.00 T= 7956.305 K progress 31.5 316 R -324984.35 -295412.43 -69571.92 40000.00 T= 7941.6 K progress 31.6 317 R -323222.61 -295025.98 -68196.64 40000.00 T= 7897.485 K progress 31.7 318 T -321592.46 -253333.61 -68258.84 0.00 T= 7882.78 K progress 31.8 319 R -244629.37 -259167.04 -65462.33 80000.00 T= 7868.075 K progress 31.9 320 R -292749.55 -267322.94 -65426.62 40000.00 T= 7853.37 K progress 32.0 321 T -333202.12 -260912.37 -72289.75 0.00 T= 7794.55 K progress 32.1 322 T -256019.20 -265788.53 -70230.66 80000.00 T= 7750.435 K progress 32.2 323 T -323905.26 -293404.38 -70500.88 40000.00 T= 7721.025 K progress 32.3 324 T -255462.71 -229934.53 -65528.18 40000.00 T= 7618.09 K progress 32.4 325 T -155089.16 -218627.49 -56461.67 120000.00 T= 7588.68 K progress 32.5 326 T -5761.34 -262326.19 -63435.14 320000.00 T= 7573.975 K progress 32.6 327 T -53505.26 -301517.08 -71988.18 320000.00 T= 7559.27 K progress 32.7 328 R -64075.39 -307775.26 -76300.13 320000.00 T= 7544.565 K progress 32.8 329 T -109653.33 -350106.24 -79547.09 320000.00 T= 7529.86 K progress 32.9 330 R -81736.17 -326776.75 -74959.42 320000.00 T= 7500.45 K progress 33.0 331 T -139349.46 -300671.62 -78677.84 240000.00 T= 7485.745 K progress 33.1 332 R -100642.30 -297756.71 -82885.59 280000.00 T= 7471.04 K progress 33.2 333 R -100332.90 -296043.66 -84289.23 280000.00 T= 7441.63 K progress 33.3 334 R -118078.81 -353024.19 -85054.62 320000.00 T= 7426.925 K progress 33.4 335 R -101309.34 -342785.99 -78523.35 320000.00 T= 7382.81 K progress 33.5 336 T -51029.37 -328304.67 -82724.70 360000.00 T= 7353.4 K progress 33.6 337 R -39533.74 -320131.87 -79401.88 360000.00 T= 7338.695 K progress 33.7 338 T 88671.91 -352604.68 -78723.41 520000.00 T= 7309.285 K progress 33.8 339 R -55515.97 -336759.85 -78756.12 360000.00 T= 7294.58 K progress 33.9 340 R 11423.06 -283411.52 -65165.42 360000.00 T= 7279.875 K progress 34.0 341 R -62352.10 -339543.13 -82808.97 360000.00 T= 7265.17 K progress 34.1 342 R 16810.12 -407408.15 -95781.73 520000.00 T= 7206.35 K progress 34.2 343 R 74554.29 -389663.98 -95781.73 560000.00 T= 7176.94 K progress 34.3 344 R 9904.65 -410902.79 -99192.56 520000.00 T= 7162.235 K progress 34.4 345 T -101007.56 -304060.91 -76946.65 280000.00 T= 7132.825 K progress 34.5 346 T -118858.79 -280061.18 -78797.61 240000.00 T= 7118.12 K progress 34.6 347 R -114360.45 -277161.98 -77198.47 240000.00 T= 7074.005 K progress 34.7 348 T -130788.35 -291993.57 -78794.78 240000.00 T= 7059.3 K progress 34.8 349 T -61183.25 -316604.51 -64578.75 320000.00 T= 7044.595 K progress 34.9 350 R -62289.23 -311021.62 -71267.62 320000.00 T= 7029.89 K progress 35.0 351 R -185252.86 -242754.16 -62498.70 120000.00 T= 7015.185 K progress 35.1 352 T -142572.31 -213602.32 -48969.99 120000.00 T= 7000.48 K progress 35.2 353 R -136179.65 -207212.48 -48967.16 120000.00 T= 6985.775 K progress 35.3 354 T -182010.52 -210281.44 -51729.08 80000.00 T= 6971.07 K progress 35.4 355 R -178350.03 -208630.35 -49719.68 80000.00 T= 6956.365 K progress 35.5 356 T -185903.88 -212014.39 -53889.49 80000.00 T= 6941.66 K progress 35.6 357 R -194087.24 -220811.07 -53276.17 80000.00 T= 6926.955 K progress 35.7 358 T -64841.09 -238937.73 -65903.36 240000.00 T= 6912.25 K progress 35.8 359 R -190094.57 -241517.80 -68576.76 120000.00 T= 6882.84 K progress 35.9 360 T -193909.37 -279897.59 -74011.78 160000.00 T= 6853.43 K progress 36.0 361 R -182165.11 -265074.85 -77090.25 160000.00 T= 6838.725 K progress 36.1 362 R -281327.92 -283952.14 -77375.78 80000.00 T= 6824.02 K progress 36.2 363 T -384484.32 -363969.18 -100515.14 80000.00 T= 6794.61 K progress 36.3 364 R -390141.11 -365576.58 -104564.53 80000.00 T= 6779.905 K progress 36.4 365 R -389566.86 -365002.33 -104564.53 80000.00 T= 6750.495 K progress 36.5 366 R -376895.33 -355345.64 -101549.69 80000.00 T= 6735.79 K progress 36.6 367 T -227214.33 -317092.83 -70121.49 160000.00 T= 6706.38 K progress 36.7 368 R -160589.60 -283953.64 -76635.96 200000.00 T= 6691.675 K progress 36.8 369 R -179200.63 -302693.53 -76507.10 200000.00 T= 6676.97 K progress 36.9 370 T -220659.87 -267572.59 -73087.28 120000.00 T= 6632.855 K progress 37.0 371 R -293753.45 -296663.65 -77089.80 80000.00 T= 6618.15 K progress 37.1 372 T -243569.06 -224881.41 -58687.66 40000.00 T= 6603.445 K progress 37.2 373 R -230129.92 -213258.42 -56871.50 40000.00 T= 6588.74 K progress 37.3 374 R -230129.92 -213258.42 -56871.50 40000.00 T= 6559.33 K progress 37.4 375 R -249346.26 -229077.22 -60269.04 40000.00 T= 6544.625 K progress 37.5 376 T -229978.96 -217771.30 -52207.66 40000.00 T= 6529.92 K progress 37.6 377 R -208314.65 -206281.69 -42032.95 40000.00 T= 6515.215 K progress 37.7 378 T -236361.57 -221871.69 -54489.88 40000.00 T= 6485.805 K progress 37.8 379 R -200145.87 -193039.02 -47106.85 40000.00 T= 6471.1 K progress 37.9 380 T -215700.45 -205220.42 -50480.03 40000.00 T= 6456.395 K progress 38.0 381 R -279634.11 -223515.87 -56118.24 0.00 T= 6441.69 K progress 38.1 382 T -282668.73 -221586.15 -61082.58 0.00 T= 6412.28 K progress 38.2 383 T -276433.14 -223356.85 -53076.29 0.00 T= 6397.575 K progress 38.3 384 R -210957.89 -200279.97 -50677.92 40000.00 T= 6382.87 K progress 38.4 385 T -225016.14 -207589.98 -57426.17 40000.00 T= 6368.165 K progress 38.5 386 R -309806.50 -243446.09 -66360.42 0.00 T= 6353.46 K progress 38.6 387 R -305543.21 -240741.61 -64801.61 0.00 T= 6338.755 K progress 38.7 388 R -345677.33 -305428.58 -80248.75 40000.00 T= 6324.05 K progress 38.8 389 T -323785.21 -286751.17 -77034.04 40000.00 T= 6309.345 K progress 38.9 390 T -326627.23 -300890.68 -65736.56 40000.00 T= 6294.64 K progress 39.0 391 T -281214.09 -281350.42 -79863.67 80000.00 T= 6279.935 K progress 39.1 392 T -325409.57 -260165.42 -65244.16 0.00 T= 6265.23 K progress 39.2 393 R -259912.35 -261812.89 -78099.47 80000.00 T= 6250.525 K progress 39.3 394 R -343016.19 -300250.14 -82766.05 40000.00 T= 6235.82 K progress 39.4 395 T -346685.29 -275354.76 -71330.52 0.00 T= 6221.115 K progress 39.5 396 T -329064.29 -263735.89 -65328.40 0.00 T= 6206.41 K progress 39.6 397 R -322980.15 -253525.20 -69454.95 0.00 T= 6191.705 K progress 39.7 398 R -349098.59 -276454.79 -72643.80 0.00 T= 6177.0 K progress 39.8 399 T -275210.10 -217456.27 -57753.83 0.00 T= 6147.59 K progress 39.9 400 R -344172.27 -276144.66 -68027.61 0.00 T= 6132.885 K progress 40.0 Long traj 401 R -344021.87 -277408.03 -66613.84 0.00 T= 6074.065 K progress 40.1 402 R -413606.28 -326404.68 -87201.59 0.00 T= 6029.95 K progress 40.2 403 R -455284.79 -359182.45 -96102.33 0.00 T= 6000.54 K progress 40.3 404 T -409596.76 -325682.62 -83914.14 0.00 T= 5971.13 K progress 40.4 405 R -383575.86 -305457.34 -78118.52 0.00 T= 5956.425 K progress 40.5 406 T -429146.42 -338997.60 -90148.82 0.00 T= 5941.72 K progress 40.6 407 T -454908.93 -358632.48 -96276.45 0.00 T= 5927.015 K progress 40.7 408 R -435049.23 -341681.15 -93368.08 0.00 T= 5838.785 K progress 40.8 409 R -424479.44 -333896.38 -90583.05 0.00 T= 5824.08 K progress 40.9 410 R -394170.49 -319906.30 -74264.19 0.00 T= 5794.67 K progress 41.0 411 T -383688.54 -303496.86 -80191.67 0.00 T= 5721.145 K progress 41.1 412 T -366081.48 -295658.02 -70423.46 0.00 T= 5677.03 K progress 41.2 413 R -375586.84 -298972.73 -76614.11 0.00 T= 5662.325 K progress 41.3 414 R -391290.40 -311239.23 -80051.17 0.00 T= 5647.62 K progress 41.4 415 T -429289.16 -338702.97 -90586.19 0.00 T= 5588.8 K progress 41.5 416 R -427635.50 -337021.60 -90613.90 0.00 T= 5544.685 K progress 41.6 417 R -428636.29 -338022.40 -90613.90 0.00 T= 5529.98 K progress 41.7 418 R -433338.36 -341265.51 -92072.85 0.00 T= 5500.57 K progress 41.8 419 T -391257.62 -311355.52 -79902.10 0.00 T= 5427.045 K progress 41.9 420 T -418251.21 -327742.06 -90509.14 0.00 T= 5397.635 K progress 42.0 421 T -414658.87 -321238.62 -93420.25 0.00 T= 5382.93 K progress 42.1 422 T -424506.63 -337333.50 -87173.13 0.00 T= 5294.7 K progress 42.2 423 R -439541.30 -348003.40 -91537.89 0.00 T= 5279.995 K progress 42.3 424 R -340788.03 -309262.52 -71525.51 40000.00 T= 5265.29 K progress 42.4 425 T -433528.51 -342015.82 -91512.69 0.00 T= 5221.175 K progress 42.5 426 T -363686.67 -320552.13 -83134.54 40000.00 T= 5191.765 K progress 42.6 427 R -387666.65 -309036.06 -78630.58 0.00 T= 5177.06 K progress 42.7 428 R -291706.94 -227774.69 -63932.24 0.00 T= 5162.355 K progress 42.8 429 T -314642.58 -244710.61 -69931.97 0.00 T= 5118.24 K progress 42.9 430 R -328827.47 -252927.76 -75899.72 0.00 T= 5103.535 K progress 43.0 431 R -328827.47 -252927.76 -75899.72 0.00 T= 5000.6 K progress 43.1 432 R -283153.41 -231454.89 -51698.52 0.00 T= 4971.19 K progress 43.2 433 T -228050.18 -215365.96 -52684.22 40000.00 T= 4956.485 K progress 43.3 434 T -301067.08 -238595.02 -62472.06 0.00 T= 4941.78 K progress 43.4 435 R -246954.82 -236095.53 -50859.29 40000.00 T= 4897.665 K progress 43.5 436 T -242636.25 -231897.68 -50738.57 40000.00 T= 4882.96 K progress 43.6 437 T -330180.42 -266236.01 -63944.41 0.00 T= 4868.255 K progress 43.7 438 T -259884.72 -200236.49 -59648.23 0.00 T= 4794.73 K progress 43.8 439 R -272157.95 -214100.19 -58057.76 0.00 T= 4780.025 K progress 43.9 440 R -277259.09 -217569.53 -59689.56 0.00 T= 4765.32 K progress 44.0 441 T -293834.53 -222395.61 -71438.92 0.00 T= 4721.205 K progress 44.1 442 R -287206.12 -256102.08 -71104.04 40000.00 T= 4530.04 K progress 44.2 443 R -313375.27 -278379.89 -74995.38 40000.00 T= 4515.335 K progress 44.3 444 R -325228.88 -288745.47 -76483.42 40000.00 T= 4427.105 K progress 44.4 445 R -350416.61 -301287.73 -89128.88 40000.00 T= 4397.695 K progress 44.5 446 R -346155.33 -298599.37 -87555.96 40000.00 T= 4338.875 K progress 44.6 447 R -319923.49 -328178.64 -71744.85 80000.00 T= 4324.17 K progress 44.7 448 T -321577.87 -330905.71 -70672.16 80000.00 T= 4309.465 K progress 44.8 449 R -327385.02 -338403.92 -68981.10 80000.00 T= 4206.53 K progress 44.9 450 T -367799.89 -319327.20 -88472.69 40000.00 T= 4191.825 K progress 45.0 451 R -370384.18 -321933.37 -88450.80 40000.00 T= 4177.12 K progress 45.1 452 T -293620.07 -323791.10 -89828.96 120000.00 T= 4162.415 K progress 45.2 453 T -378779.42 -326688.20 -92091.22 40000.00 T= 4088.89 K progress 45.3 454 R -336550.51 -293424.21 -83126.30 40000.00 T= 4044.775 K progress 45.4 455 T -365134.25 -285170.98 -79963.27 0.00 T= 4030.07 K progress 45.5 456 T -378710.15 -306098.90 -72611.25 0.00 T= 4000.66 K progress 45.6 457 R -375597.40 -302986.16 -72611.25 0.00 T= 3971.25 K progress 45.7 458 T -353118.57 -280271.64 -72846.93 0.00 T= 3868.315 K progress 45.8 459 R -368467.70 -318651.88 -89815.83 40000.00 T= 3853.61 K progress 45.9 460 T -393722.49 -314019.56 -79702.92 0.00 T= 3838.905 K progress 46.0 461 T -377084.90 -298613.27 -78471.63 0.00 T= 3794.79 K progress 46.1 462 T -376013.72 -301125.47 -74888.24 0.00 T= 3765.38 K progress 46.2 463 T -357922.78 -317404.01 -80518.77 40000.00 T= 3735.97 K progress 46.3 464 T -461831.05 -364431.56 -97399.49 0.00 T= 3691.855 K progress 46.4 465 R -465005.27 -365904.04 -99101.22 0.00 T= 3662.445 K progress 46.5 466 R -457108.35 -359708.86 -97399.49 0.00 T= 3647.74 K progress 46.6 467 R -455746.44 -358346.95 -97399.49 0.00 T= 3559.51 K progress 46.7 468 T -335619.91 -323024.12 -92595.79 80000.00 T= 3456.575 K progress 46.8 469 R -335314.95 -322700.78 -92614.17 80000.00 T= 3441.87 K progress 46.9 470 T -396747.47 -305857.04 -90890.43 0.00 T= 3427.165 K progress 47.0 471 T -410107.19 -354168.44 -95938.75 40000.00 T= 3294.82 K progress 47.1 472 R -409437.43 -353489.03 -95948.40 40000.00 T= 3280.115 K progress 47.2 473 R -373376.10 -323103.50 -90272.60 40000.00 T= 3236.0 K progress 47.3 474 T -424759.95 -367662.09 -97097.86 40000.00 T= 3206.59 K progress 47.4 475 R -421624.93 -365826.94 -95797.99 40000.00 T= 2912.49 K progress 47.5 476 R -419676.40 -363983.29 -95693.11 40000.00 T= 2647.8 K progress 47.6 477 R -421687.31 -365994.20 -95693.11 40000.00 T= 2544.865 K progress 47.7 478 R -426710.16 -369591.80 -97118.36 40000.00 T= 2530.16 K progress 47.8 479 R -424361.63 -367243.27 -97118.36 40000.00 T= 2515.455 K progress 47.9 480 R -426710.16 -369591.80 -97118.36 40000.00 T= 2221.355 K progress 48.0 481 R -423292.75 -367633.78 -95658.98 40000.00 T= 2089.01 K progress 48.1 482 T -410905.47 -356583.48 -94321.99 40000.00 T= 1941.96 K progress 48.2 483 T -464720.76 -364762.07 -99958.69 0.00 T= 1809.615 K progress 48.3 484 T -449430.52 -378592.88 -110837.64 40000.00 T= 1441.99 K progress 48.4 485 T -438886.17 -348561.47 -90324.70 0.00 T= 868.495 K progress 48.5 486 R -436504.02 -346104.59 -90399.43 0.00 T= 853.79 K progress 48.6 487 R -456808.71 -357698.53 -99110.18 0.00 T= 780.265 K progress 48.7 488 T -480938.12 -376890.25 -104047.87 0.00 T= 383.23 K progress 48.8 msg save long traj Save long msg save best.pdb msg save plot e_step.png Fri May 22 08:52:53 2026 ['prot-na_609.pdb', 'prot-na_6853.pdb', 'prot-na_1784.pdb'] msg Refinement of #1 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_609.pdb dir: /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/ file: prot-na_609.pdb find `pwd` -iname prot-na_609.pdb copy /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_609.pdb to /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_609/prot-na_609.pdb cmd: python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_609/prot-na_609.pdb msg python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_609/prot-na_609.pdb run_mc::OK! = stderr empty msg Refinement of #2 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_6853.pdb dir: /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/ file: prot-na_6853.pdb find `pwd` -iname prot-na_6853.pdb copy /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_6853.pdb to /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_6853/prot-na_6853.pdb cmd: python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_6853/prot-na_6853.pdb msg python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_6853/prot-na_6853.pdb run_mc::OK! = stderr empty msg Refinement of #3 /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_1784.pdb dir: /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/ file: prot-na_1784.pdb find `pwd` -iname prot-na_1784.pdb copy /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac/prot-na_15/prot-na_1784.pdb to /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_1784/prot-na_1784.pdb cmd: python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_1784/prot-na_1784.pdb msg python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/8e2f895c-7717-438a-a719-842a7369a5ac//ref_struc/prot-na_1784/prot-na_1784.pdb run_mc::OK! = stderr empty 2026-05-22 09:02:41 npdock::MC (refinement) end 2026-05-22 09:02:41 npdock::OK 2026-05-22 09:02:41 Set finished status of 8e2f895c-7717-438a-a719-842a7369a5ac