2026-04-29 10:29:04 NPdock start 2026-04-29 10:29:04 ver: server 2026-04-29 10:29:04 mode: 11111 2026-04-29 10:29:04 is RNA? 0 2026-04-29 10:29:04 Interface: prot: '' na: '' 2026-04-29 10:29:04 Curr dir:/home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/ 2026-04-29 10:29:04 GRAMM in progress... 2026-04-29 10:29:04 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb -pi '' -ri '' -n 1 -pf '*' -rf '*' 2026-04-29 11:37:49 GRAMM done 2026-04-29 11:37:49 DNP scoring in progress... 2026-04-29 11:37:49 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt 2026-04-29 11:37:49 QDV-DNP starts 2026-04-29 11:37:49 Show log every 100 structures 2026-04-29 11:37:49 QUASI-DNP starts 2026-04-29 11:37:49 na-prot_1000.pdb -706209.443562 2026-04-29 11:38:09 na-prot_94.pdb -605297.285943 2026-04-29 11:38:29 na-prot_194.pdb -952541.536363 2026-04-29 11:38:49 na-prot_294.pdb -616935.094813 2026-04-29 11:39:08 na-prot_394.pdb -498095.043907 2026-04-29 11:39:28 na-prot_494.pdb -698887.723588 2026-04-29 11:39:48 na-prot_594.pdb -470418.476244 2026-04-29 11:40:08 na-prot_694.pdb -810524.105823 2026-04-29 11:40:28 na-prot_794.pdb -685436.436118 2026-04-29 11:40:48 na-prot_894.pdb -657530.173485 2026-04-29 11:41:08 na-prot_994.pdb -705521.576898 2026-04-29 11:41:28 na-prot_1100.pdb -623246.01924 2026-04-29 11:41:49 na-prot_1200.pdb -616399.23753 2026-04-29 11:42:09 na-prot_1300.pdb -968973.813174 2026-04-29 11:42:30 na-prot_1400.pdb -539080.347677 2026-04-29 11:42:50 na-prot_1500.pdb -874521.413879 2026-04-29 11:43:11 na-prot_1600.pdb -570469.17498 2026-04-29 11:43:31 na-prot_1700.pdb -843846.15863 2026-04-29 11:43:52 na-prot_1800.pdb -393446.336751 2026-04-29 11:44:12 na-prot_1900.pdb -538281.538223 2026-04-29 11:44:32 na-prot_2000.pdb -772031.97871 2026-04-29 11:44:52 na-prot_2100.pdb -493295.942352 2026-04-29 11:45:13 na-prot_2200.pdb -594955.953365 2026-04-29 11:45:33 na-prot_2300.pdb -997257.727746 2026-04-29 11:45:53 na-prot_2400.pdb -606177.548784 2026-04-29 11:46:14 na-prot_2500.pdb -342493.691538 2026-04-29 11:46:34 na-prot_2600.pdb -699149.037491 2026-04-29 11:46:54 na-prot_2700.pdb -662073.974072 2026-04-29 11:47:15 na-prot_2800.pdb -487058.550583 2026-04-29 11:47:35 na-prot_2900.pdb -575146.722913 2026-04-29 11:47:55 na-prot_3000.pdb -663520.232045 2026-04-29 11:48:15 na-prot_3100.pdb -712130.408955 2026-04-29 11:48:36 na-prot_3200.pdb -540747.433928 2026-04-29 11:48:56 na-prot_3300.pdb -677809.874831 2026-04-29 11:49:16 na-prot_3400.pdb -733964.893714 2026-04-29 11:49:37 na-prot_3500.pdb -600116.179164 2026-04-29 11:49:57 na-prot_3600.pdb -607247.255307 2026-04-29 11:50:17 na-prot_3700.pdb -499895.375661 2026-04-29 11:50:37 na-prot_3800.pdb -636778.492219 2026-04-29 11:50:58 na-prot_3900.pdb -1019667.07123 2026-04-29 11:51:19 na-prot_4000.pdb -766141.339163 2026-04-29 11:51:39 na-prot_4100.pdb -582313.233539 2026-04-29 11:51:59 na-prot_4200.pdb -646028.481107 2026-04-29 11:52:19 na-prot_4300.pdb -763631.409434 2026-04-29 11:52:39 na-prot_4400.pdb -504874.857832 2026-04-29 11:53:00 na-prot_4500.pdb -872847.896568 2026-04-29 11:53:20 na-prot_4600.pdb -832509.984601 2026-04-29 11:53:40 na-prot_4700.pdb -596526.483984 2026-04-29 11:54:01 na-prot_4800.pdb -566735.623149 2026-04-29 11:54:21 na-prot_4900.pdb -555912.873802 2026-04-29 11:54:41 na-prot_5000.pdb -698673.880545 2026-04-29 11:55:02 na-prot_5100.pdb -594923.851925 2026-04-29 11:55:22 na-prot_5200.pdb -444288.252344 2026-04-29 11:55:42 na-prot_5300.pdb -540526.065272 2026-04-29 11:56:03 na-prot_5400.pdb -446038.145163 2026-04-29 11:56:23 na-prot_5500.pdb -566908.268393 2026-04-29 11:56:44 na-prot_5600.pdb -825804.179436 2026-04-29 11:57:04 na-prot_5700.pdb -320864.374776 2026-04-29 11:57:24 na-prot_5800.pdb -520345.172747 2026-04-29 11:57:45 na-prot_5900.pdb -716045.080363 2026-04-29 11:58:05 na-prot_6000.pdb -792246.732001 2026-04-29 11:58:25 na-prot_6100.pdb -689472.807107 2026-04-29 11:58:45 na-prot_6200.pdb -712255.515976 2026-04-29 11:59:05 na-prot_6300.pdb -1030518.79386 2026-04-29 11:59:26 na-prot_6400.pdb -600063.476851 2026-04-29 11:59:46 na-prot_6500.pdb -668606.085007 2026-04-29 12:00:06 na-prot_6600.pdb -764201.085492 2026-04-29 12:00:26 na-prot_6700.pdb -669437.506726 2026-04-29 12:00:46 na-prot_6800.pdb -559787.13646 2026-04-29 12:01:05 na-prot_6900.pdb -661580.564966 2026-04-29 12:01:26 na-prot_7000.pdb -503573.798785 2026-04-29 12:01:46 na-prot_7100.pdb -365952.627973 2026-04-29 12:02:06 na-prot_7200.pdb -902599.908738 2026-04-29 12:02:26 na-prot_7300.pdb -603604.857209 2026-04-29 12:02:46 na-prot_7400.pdb -713130.368458 2026-04-29 12:03:06 na-prot_7500.pdb -501249.441822 2026-04-29 12:03:27 na-prot_7600.pdb -426585.738776 2026-04-29 12:03:47 na-prot_7700.pdb -841229.101479 2026-04-29 12:04:07 na-prot_7800.pdb -831809.57449 2026-04-29 12:04:27 na-prot_7900.pdb -547471.965224 2026-04-29 12:04:48 na-prot_8000.pdb -639369.8458 2026-04-29 12:05:08 na-prot_8100.pdb -497510.80717 2026-04-29 12:05:28 na-prot_8200.pdb -640469.797109 2026-04-29 12:05:48 na-prot_8300.pdb -685799.031655 2026-04-29 12:06:08 na-prot_8400.pdb -747505.622527 2026-04-29 12:06:28 na-prot_8500.pdb -653945.401173 2026-04-29 12:06:49 na-prot_8600.pdb -443238.434595 2026-04-29 12:07:09 na-prot_8700.pdb -757627.546397 2026-04-29 12:07:29 na-prot_8800.pdb -731441.297241 2026-04-29 12:07:49 na-prot_8900.pdb -798134.137132 2026-04-29 12:08:10 na-prot_9000.pdb -472997.554836 2026-04-29 12:08:30 na-prot_9100.pdb -662460.901281 2026-04-29 12:08:50 na-prot_9200.pdb -726497.141652 2026-04-29 12:09:10 na-prot_9300.pdb -705068.196346 2026-04-29 12:09:30 na-prot_9400.pdb -728643.088781 2026-04-29 12:09:50 na-prot_9500.pdb -570908.289376 2026-04-29 12:10:10 na-prot_9600.pdb -645200.002798 2026-04-29 12:10:30 na-prot_9700.pdb -578356.19944 2026-04-29 12:10:51 na-prot_9800.pdb -565068.265623 2026-04-29 12:11:11 na-prot_9900.pdb -505250.235695 2026-04-29 12:11:31 na-prot_10000.pdb -378276.852702 2026-04-29 12:11:51 na-prot_10100.pdb -682334.560828 2026-04-29 12:12:11 na-prot_10200.pdb -627098.615097 2026-04-29 12:12:31 na-prot_10300.pdb -557663.089873 2026-04-29 12:12:52 na-prot_10400.pdb -386369.313553 2026-04-29 12:13:12 na-prot_10500.pdb -638568.62533 2026-04-29 12:13:32 na-prot_10600.pdb -743778.779493 2026-04-29 12:13:52 na-prot_10700.pdb -560182.311121 2026-04-29 12:14:12 na-prot_10800.pdb -480113.189988 2026-04-29 12:14:32 na-prot_10900.pdb -579306.100989 2026-04-29 12:14:53 na-prot_11000.pdb -664565.462025 2026-04-29 12:15:13 na-prot_11100.pdb -515141.30591 2026-04-29 12:15:33 na-prot_11200.pdb -522853.623863 2026-04-29 12:15:53 na-prot_11300.pdb -537865.972507 2026-04-29 12:16:13 na-prot_11400.pdb -861914.558781 2026-04-29 12:16:33 na-prot_11500.pdb -679380.578881 2026-04-29 12:16:54 na-prot_11600.pdb -553258.415147 2026-04-29 12:17:14 na-prot_11700.pdb -492655.891091 2026-04-29 12:17:34 na-prot_11800.pdb -377416.354503 2026-04-29 12:17:55 na-prot_11900.pdb -400715.676115 2026-04-29 12:18:15 na-prot_12000.pdb -600884.069711 2026-04-29 12:18:35 na-prot_12100.pdb -657575.718371 2026-04-29 12:18:56 na-prot_12200.pdb -768331.986303 2026-04-29 12:19:16 na-prot_12300.pdb -645419.937374 2026-04-29 12:19:36 na-prot_12400.pdb -788129.87233 2026-04-29 12:19:56 na-prot_12500.pdb -615890.092861 2026-04-29 12:20:16 na-prot_12600.pdb -622343.754763 2026-04-29 12:20:36 na-prot_12700.pdb -680540.39032 2026-04-29 12:20:57 na-prot_12800.pdb -599569.893937 2026-04-29 12:21:17 na-prot_12900.pdb -582180.319177 2026-04-29 12:21:36 na-prot_13000.pdb -662072.983697 2026-04-29 12:21:55 na-prot_13100.pdb -456383.700729 2026-04-29 12:22:15 na-prot_13200.pdb -530875.941926 2026-04-29 12:22:35 na-prot_13300.pdb -664160.421619 2026-04-29 12:22:56 na-prot_13400.pdb -619222.719783 2026-04-29 12:23:16 na-prot_13500.pdb -572844.896695 2026-04-29 12:23:36 na-prot_13600.pdb -725990.275664 2026-04-29 12:23:57 na-prot_13700.pdb -382623.713196 2026-04-29 12:24:17 na-prot_13800.pdb -630582.025923 2026-04-29 12:24:37 na-prot_13900.pdb -526951.427066 2026-04-29 12:24:57 na-prot_14000.pdb -535176.077698 2026-04-29 12:25:18 na-prot_14100.pdb -457663.854496 2026-04-29 12:25:38 na-prot_14200.pdb -634926.544358 2026-04-29 12:25:58 na-prot_14300.pdb -461043.471969 2026-04-29 12:26:19 na-prot_14400.pdb -584715.384806 2026-04-29 12:26:39 na-prot_14500.pdb -457969.344381 2026-04-29 12:26:59 na-prot_14600.pdb -503327.249013 2026-04-29 12:27:19 na-prot_14700.pdb -663680.142352 2026-04-29 12:27:39 na-prot_14800.pdb -494392.28885 2026-04-29 12:27:59 na-prot_14900.pdb -505276.905031 2026-04-29 12:28:19 na-prot_15000.pdb -513816.557739 2026-04-29 12:28:39 na-prot_15100.pdb -636115.023493 2026-04-29 12:29:00 na-prot_15200.pdb -540743.81617 2026-04-29 12:29:20 na-prot_15300.pdb -637126.369483 2026-04-29 12:29:40 na-prot_15400.pdb -570529.767717 2026-04-29 12:30:01 na-prot_15500.pdb -828059.897933 2026-04-29 12:30:21 na-prot_15600.pdb -933420.390727 2026-04-29 12:30:41 na-prot_15700.pdb -777306.624868 2026-04-29 12:31:01 na-prot_15800.pdb -562232.595607 2026-04-29 12:31:21 na-prot_15900.pdb -536710.461813 2026-04-29 12:31:41 na-prot_16000.pdb -551976.955271 2026-04-29 12:32:02 na-prot_16100.pdb -611934.288948 2026-04-29 12:32:22 na-prot_16200.pdb -584674.732464 2026-04-29 12:32:42 na-prot_16300.pdb -528103.851271 2026-04-29 12:33:03 na-prot_16400.pdb -503268.939862 2026-04-29 12:33:23 na-prot_16500.pdb -487871.979378 2026-04-29 12:33:43 na-prot_16600.pdb -499372.412307 2026-04-29 12:34:03 na-prot_16700.pdb -661577.222386 2026-04-29 12:34:23 na-prot_16800.pdb -701539.231835 2026-04-29 12:34:43 na-prot_16900.pdb -517058.427382 2026-04-29 12:35:04 na-prot_17000.pdb -382644.447194 2026-04-29 12:35:24 na-prot_17100.pdb -393369.024708 2026-04-29 12:35:44 na-prot_17200.pdb -736071.161137 2026-04-29 12:36:04 na-prot_17300.pdb -627288.587144 2026-04-29 12:36:24 na-prot_17400.pdb -545640.726947 2026-04-29 12:36:44 na-prot_17500.pdb -771105.410462 2026-04-29 12:37:05 na-prot_17600.pdb -461206.729979 2026-04-29 12:37:25 na-prot_17700.pdb -590779.893494 2026-04-29 12:37:45 na-prot_17800.pdb -770338.591898 2026-04-29 12:38:05 na-prot_17900.pdb -454220.946148 2026-04-29 12:38:25 na-prot_18000.pdb -250262.817034 2026-04-29 12:38:45 na-prot_18100.pdb -505843.066858 2026-04-29 12:39:05 na-prot_18200.pdb -701900.203463 2026-04-29 12:39:25 na-prot_18300.pdb -706044.908993 2026-04-29 12:39:45 na-prot_18400.pdb -283134.743026 2026-04-29 12:40:05 na-prot_18500.pdb -536606.283881 2026-04-29 12:40:25 na-prot_18600.pdb -509321.801291 2026-04-29 12:40:45 na-prot_18700.pdb -629654.235832 2026-04-29 12:41:06 na-prot_18800.pdb -574001.256833 2026-04-29 12:41:26 na-prot_18900.pdb -664808.783754 2026-04-29 12:41:45 na-prot_19000.pdb -664951.069646 2026-04-29 12:42:05 na-prot_19100.pdb -706599.343449 2026-04-29 12:42:26 na-prot_19200.pdb -688540.670577 2026-04-29 12:42:46 na-prot_19300.pdb -627671.977593 2026-04-29 12:43:06 na-prot_19400.pdb -465665.877988 2026-04-29 12:43:26 na-prot_19500.pdb -831148.567553 2026-04-29 12:43:46 na-prot_19600.pdb -720560.177496 2026-04-29 12:44:06 na-prot_19700.pdb -430143.835741 2026-04-29 12:44:26 na-prot_19800.pdb -747316.636696 2026-04-29 12:44:46 na-prot_19900.pdb -382626.526422 2026-04-29 12:45:06 na-prot_20000.pdb -611248.354167 2026-04-29 12:45:06 Varani starts 2026-04-29 12:45:07 na-prot_1000.pdb 403.723 2026-04-29 12:45:39 na-prot_94.pdb 157.098 2026-04-29 12:46:11 na-prot_194.pdb 165.074 2026-04-29 12:46:43 na-prot_294.pdb 112.774 2026-04-29 12:47:16 na-prot_394.pdb 181.508 2026-04-29 12:47:47 na-prot_494.pdb 52.818 2026-04-29 12:48:19 na-prot_594.pdb 175.237 2026-04-29 12:48:51 na-prot_694.pdb 128.507 2026-04-29 12:49:23 na-prot_794.pdb 229.66 2026-04-29 12:49:55 na-prot_894.pdb 178.24 2026-04-29 12:50:27 na-prot_994.pdb 105.708 2026-04-29 12:50:59 na-prot_1100.pdb 219.371 2026-04-29 12:51:32 na-prot_1200.pdb 299.954 2026-04-29 12:52:04 na-prot_1300.pdb 277.093 2026-04-29 12:52:37 na-prot_1400.pdb 87.837 2026-04-29 12:53:09 na-prot_1500.pdb 164.213 2026-04-29 12:53:41 na-prot_1600.pdb 180.346 2026-04-29 12:54:13 na-prot_1700.pdb 140.509 2026-04-29 12:54:45 na-prot_1800.pdb 84.82 2026-04-29 12:55:17 na-prot_1900.pdb 166.56 2026-04-29 12:55:49 na-prot_2000.pdb 357.966 2026-04-29 12:56:21 na-prot_2100.pdb 124.501 2026-04-29 12:56:53 na-prot_2200.pdb 228.403 2026-04-29 12:57:25 na-prot_2300.pdb 390.053 2026-04-29 12:57:57 na-prot_2400.pdb 195.369 2026-04-29 12:58:29 na-prot_2500.pdb 124.316 2026-04-29 12:59:01 na-prot_2600.pdb 262.945 2026-04-29 12:59:33 na-prot_2700.pdb 246.918 2026-04-29 13:00:05 na-prot_2800.pdb 30.105 2026-04-29 13:00:37 na-prot_2900.pdb 63.815 2026-04-29 13:01:09 na-prot_3000.pdb 35.816 2026-04-29 13:01:41 na-prot_3100.pdb 174.242 2026-04-29 13:02:13 na-prot_3200.pdb 195.642 2026-04-29 13:02:45 na-prot_3300.pdb 77.647 2026-04-29 13:03:18 na-prot_3400.pdb 295.624 2026-04-29 13:03:50 na-prot_3500.pdb 170.972 2026-04-29 13:04:22 na-prot_3600.pdb 209.545 2026-04-29 13:04:55 na-prot_3700.pdb 69.559 2026-04-29 13:05:27 na-prot_3800.pdb 71.667 2026-04-29 13:05:59 na-prot_3900.pdb 297.459 2026-04-29 13:06:31 na-prot_4000.pdb 147.285 2026-04-29 13:07:03 na-prot_4100.pdb 195.425 2026-04-29 13:07:35 na-prot_4200.pdb 125.981 2026-04-29 13:08:07 na-prot_4300.pdb 165.508 2026-04-29 13:08:39 na-prot_4400.pdb 116.996 2026-04-29 13:09:11 na-prot_4500.pdb 251.86 2026-04-29 13:09:43 na-prot_4600.pdb 111.898 2026-04-29 13:10:15 na-prot_4700.pdb 333.718 2026-04-29 13:10:47 na-prot_4800.pdb 168.16 2026-04-29 13:11:19 na-prot_4900.pdb 52.688 2026-04-29 13:11:51 na-prot_5000.pdb 270.656 2026-04-29 13:12:23 na-prot_5100.pdb 26.923 2026-04-29 13:12:55 na-prot_5200.pdb 100.757 2026-04-29 13:13:27 na-prot_5300.pdb 191.893 2026-04-29 13:13:59 na-prot_5400.pdb -11.712 2026-04-29 13:14:31 na-prot_5500.pdb 32.013 2026-04-29 13:15:04 na-prot_5600.pdb 127.55 2026-04-29 13:15:35 na-prot_5700.pdb 81.883 2026-04-29 13:16:08 na-prot_5800.pdb 131.224 2026-04-29 13:16:39 na-prot_5900.pdb 191.947 2026-04-29 13:17:11 na-prot_6000.pdb 294.94 2026-04-29 13:17:43 na-prot_6100.pdb 434.237 2026-04-29 13:18:15 na-prot_6200.pdb 274.61 2026-04-29 13:18:47 na-prot_6300.pdb 422.351 2026-04-29 13:19:19 na-prot_6400.pdb 182.317 2026-04-29 13:19:52 na-prot_6500.pdb 236.088 2026-04-29 13:20:24 na-prot_6600.pdb 271.207 2026-04-29 13:20:56 na-prot_6700.pdb 29.476 2026-04-29 13:21:28 na-prot_6800.pdb 75.678 2026-04-29 13:22:00 na-prot_6900.pdb 97.132 2026-04-29 13:22:32 na-prot_7000.pdb 86.165 2026-04-29 13:23:04 na-prot_7100.pdb 19.97 2026-04-29 13:23:36 na-prot_7200.pdb 247.644 2026-04-29 13:24:08 na-prot_7300.pdb 372.262 2026-04-29 13:24:39 na-prot_7400.pdb 161 2026-04-29 13:25:11 na-prot_7500.pdb 84.15 2026-04-29 13:25:42 na-prot_7600.pdb 31.894 2026-04-29 13:26:14 na-prot_7700.pdb 201.536 2026-04-29 13:26:45 na-prot_7800.pdb 184.07 2026-04-29 13:27:16 na-prot_7900.pdb 95.031 2026-04-29 13:27:47 na-prot_8000.pdb 244.091 2026-04-29 13:28:19 na-prot_8100.pdb 115.814 2026-04-29 13:28:50 na-prot_8200.pdb 54.96 2026-04-29 13:29:22 na-prot_8300.pdb 154.981 2026-04-29 13:29:53 na-prot_8400.pdb 166.893 2026-04-29 13:30:25 na-prot_8500.pdb 157.738 2026-04-29 13:30:56 na-prot_8600.pdb 239.041 2026-04-29 13:31:28 na-prot_8700.pdb 94.552 2026-04-29 13:31:58 na-prot_8800.pdb 173.045 2026-04-29 13:32:30 na-prot_8900.pdb 108.637 2026-04-29 13:33:01 na-prot_9000.pdb 21.421 2026-04-29 13:33:32 na-prot_9100.pdb 96.999 2026-04-29 13:34:03 na-prot_9200.pdb 232.269 2026-04-29 13:34:34 na-prot_9300.pdb 201.202 2026-04-29 13:35:06 na-prot_9400.pdb 210.96 2026-04-29 13:35:37 na-prot_9500.pdb 47.432 2026-04-29 13:36:08 na-prot_9600.pdb 240.416 2026-04-29 13:36:39 na-prot_9700.pdb 170.626 2026-04-29 13:37:11 na-prot_9800.pdb 204.393 2026-04-29 13:37:42 na-prot_9900.pdb 165.388 2026-04-29 13:38:13 na-prot_10000.pdb 81.677 2026-04-29 13:38:44 na-prot_10100.pdb 52.967 2026-04-29 13:39:15 na-prot_10200.pdb 315.676 2026-04-29 13:39:46 na-prot_10300.pdb 64.676 2026-04-29 13:40:18 na-prot_10400.pdb 90.461 2026-04-29 13:40:48 na-prot_10500.pdb 381.796 2026-04-29 13:41:20 na-prot_10600.pdb 209.472 2026-04-29 13:41:51 na-prot_10700.pdb 164.584 2026-04-29 13:42:22 na-prot_10800.pdb 31.101 2026-04-29 13:42:53 na-prot_10900.pdb 114.393 2026-04-29 13:43:25 na-prot_11000.pdb 127.39 2026-04-29 13:43:56 na-prot_11100.pdb 40.33 2026-04-29 13:44:28 na-prot_11200.pdb 196.42 2026-04-29 13:44:58 na-prot_11300.pdb 82.729 2026-04-29 13:45:30 na-prot_11400.pdb 301.101 2026-04-29 13:46:01 na-prot_11500.pdb 87.856 2026-04-29 13:46:32 na-prot_11600.pdb 14.704 2026-04-29 13:47:03 na-prot_11700.pdb 116.263 2026-04-29 13:47:34 na-prot_11800.pdb -52.329 2026-04-29 13:48:06 na-prot_11900.pdb 76.441 2026-04-29 13:48:36 na-prot_12000.pdb -24.964 2026-04-29 13:49:08 na-prot_12100.pdb 171.81 2026-04-29 13:49:39 na-prot_12200.pdb 228.85 2026-04-29 13:50:11 na-prot_12300.pdb 345.466 2026-04-29 13:50:42 na-prot_12400.pdb 355.987 2026-04-29 13:51:13 na-prot_12500.pdb 115.442 2026-04-29 13:51:44 na-prot_12600.pdb 77.641 2026-04-29 13:52:15 na-prot_12700.pdb 133.719 2026-04-29 13:52:46 na-prot_12800.pdb 294.9 2026-04-29 13:53:18 na-prot_12900.pdb -15.604 2026-04-29 13:53:49 na-prot_13000.pdb 336.596 2026-04-29 13:54:20 na-prot_13100.pdb 194.152 2026-04-29 13:54:51 na-prot_13200.pdb 136.226 2026-04-29 13:55:23 na-prot_13300.pdb 207.662 2026-04-29 13:55:54 na-prot_13400.pdb 141.035 2026-04-29 13:56:26 na-prot_13500.pdb 125.572 2026-04-29 13:56:59 na-prot_13600.pdb 282.718 2026-04-29 13:57:32 na-prot_13700.pdb 242.736 2026-04-29 13:58:09 na-prot_13800.pdb 27.351 2026-04-29 13:58:42 na-prot_13900.pdb 70.189 2026-04-29 13:59:16 na-prot_14000.pdb 234.179 2026-04-29 13:59:49 na-prot_14100.pdb 178.848 2026-04-29 14:00:22 na-prot_14200.pdb 118.954 2026-04-29 14:00:54 na-prot_14300.pdb 113.657 2026-04-29 14:01:27 na-prot_14400.pdb 116.908 2026-04-29 14:02:00 na-prot_14500.pdb 174.93 2026-04-29 14:02:32 na-prot_14600.pdb 305.788 2026-04-29 14:03:04 na-prot_14700.pdb 275.593 2026-04-29 14:03:37 na-prot_14800.pdb 218.397 2026-04-29 14:04:09 na-prot_14900.pdb 125.011 2026-04-29 14:04:41 na-prot_15000.pdb 74.423 2026-04-29 14:05:14 na-prot_15100.pdb 207.743 2026-04-29 14:05:46 na-prot_15200.pdb 242.559 2026-04-29 14:06:18 na-prot_15300.pdb 27.226 2026-04-29 14:06:51 na-prot_15400.pdb 201.977 2026-04-29 14:07:23 na-prot_15500.pdb 284.507 2026-04-29 14:07:56 na-prot_15600.pdb 286.61 2026-04-29 14:08:28 na-prot_15700.pdb 112.895 2026-04-29 14:09:01 na-prot_15800.pdb 60.394 2026-04-29 14:09:33 na-prot_15900.pdb 219.961 2026-04-29 14:10:05 na-prot_16000.pdb 298.803 2026-04-29 14:10:38 na-prot_16100.pdb 135.2 2026-04-29 14:11:11 na-prot_16200.pdb 232.834 2026-04-29 14:11:43 na-prot_16300.pdb 56.116 2026-04-29 14:12:15 na-prot_16400.pdb 162.624 2026-04-29 14:12:48 na-prot_16500.pdb 139.021 2026-04-29 14:13:20 na-prot_16600.pdb 238.385 2026-04-29 14:13:53 na-prot_16700.pdb 383.109 2026-04-29 14:14:25 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14:26:16 na-prot_19000.pdb 183.569 2026-04-29 14:26:47 na-prot_19100.pdb 215.864 2026-04-29 14:27:19 na-prot_19200.pdb 125.852 2026-04-29 14:27:52 na-prot_19300.pdb -9.992 2026-04-29 14:28:24 na-prot_19400.pdb 22.103 2026-04-29 14:28:57 na-prot_19500.pdb 211.861 2026-04-29 14:29:29 na-prot_19600.pdb 276.789 2026-04-29 14:30:01 na-prot_19700.pdb 88.742 2026-04-29 14:30:33 na-prot_19800.pdb 291.805 2026-04-29 14:31:05 na-prot_19900.pdb 61.172 2026-04-29 14:31:38 na-prot_20000.pdb 242.373 2026-04-29 14:31:38 DFIRE starts 2026-04-29 14:31:38 na-prot_1000.pdb -76.175458 2026-04-29 14:32:18 na-prot_94.pdb -70.371315 2026-04-29 14:32:58 na-prot_194.pdb -80.973337 2026-04-29 14:33:38 na-prot_294.pdb -47.929305 2026-04-29 14:34:18 na-prot_394.pdb -61.699925 2026-04-29 14:34:58 na-prot_494.pdb -59.964334 2026-04-29 14:35:39 na-prot_594.pdb -51.160071 2026-04-29 14:36:19 na-prot_694.pdb -60.583569 2026-04-29 14:36:59 na-prot_794.pdb -59.909348 2026-04-29 14:37:39 na-prot_894.pdb -58.174946 2026-04-29 14:38:19 na-prot_994.pdb -68.243670 2026-04-29 14:38:59 na-prot_1100.pdb -65.179268 2026-04-29 14:39:39 na-prot_1200.pdb -76.974081 2026-04-29 14:40:19 na-prot_1300.pdb -85.287029 2026-04-29 14:40:59 na-prot_1400.pdb -44.763614 2026-04-29 14:41:39 na-prot_1500.pdb -56.632052 2026-04-29 14:42:19 na-prot_1600.pdb -51.978975 2026-04-29 14:42:59 na-prot_1700.pdb -69.988902 2026-04-29 14:43:39 na-prot_1800.pdb -53.626744 2026-04-29 14:44:19 na-prot_1900.pdb -56.852290 2026-04-29 14:44:58 na-prot_2000.pdb -68.668261 2026-04-29 14:45:38 na-prot_2100.pdb -54.247336 2026-04-29 14:46:18 na-prot_2200.pdb -47.747254 2026-04-29 14:47:00 na-prot_2300.pdb -83.270668 2026-04-29 14:47:40 na-prot_2400.pdb -65.056885 2026-04-29 14:48:21 na-prot_2500.pdb -52.558298 2026-04-29 14:49:00 na-prot_2600.pdb -58.451934 2026-04-29 14:49:40 na-prot_2700.pdb -62.927905 2026-04-29 14:50:20 na-prot_2800.pdb -50.880310 2026-04-29 14:51:00 na-prot_2900.pdb -52.008017 2026-04-29 14:51:39 na-prot_3000.pdb 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na-prot_5100.pdb -53.279101 2026-04-29 15:06:37 na-prot_5200.pdb -42.300669 2026-04-29 15:07:20 na-prot_5300.pdb -50.676648 2026-04-29 15:08:03 na-prot_5400.pdb -48.589664 2026-04-29 15:08:46 na-prot_5500.pdb -58.940241 2026-04-29 15:09:29 na-prot_5600.pdb -69.937020 2026-04-29 15:10:12 na-prot_5700.pdb -41.083112 2026-04-29 15:10:54 na-prot_5800.pdb -52.646214 2026-04-29 15:11:37 na-prot_5900.pdb -58.783646 2026-04-29 15:12:21 na-prot_6000.pdb -66.829415 2026-04-29 15:13:05 na-prot_6100.pdb -78.010467 2026-04-29 15:13:49 na-prot_6200.pdb -63.526470 2026-04-29 15:14:32 na-prot_6300.pdb -80.252593 2026-04-29 15:15:16 na-prot_6400.pdb -64.163162 2026-04-29 15:15:58 na-prot_6500.pdb -68.020992 2026-04-29 15:16:42 na-prot_6600.pdb -58.052554 2026-04-29 15:17:27 na-prot_6700.pdb -54.090810 2026-04-29 15:18:10 na-prot_6800.pdb -56.410960 2026-04-29 15:18:53 na-prot_6900.pdb -60.359022 2026-04-29 15:19:37 na-prot_7000.pdb -47.162910 2026-04-29 15:20:20 na-prot_7100.pdb -41.155049 2026-04-29 15:21:01 na-prot_7200.pdb -69.733764 2026-04-29 15:21:44 na-prot_7300.pdb -67.700530 2026-04-29 15:22:26 na-prot_7400.pdb -68.141878 2026-04-29 15:23:09 na-prot_7500.pdb -53.902860 2026-04-29 15:23:51 na-prot_7600.pdb -57.159708 2026-04-29 15:24:35 na-prot_7700.pdb -73.385522 2026-04-29 15:25:18 na-prot_7800.pdb -76.093551 2026-04-29 15:26:00 na-prot_7900.pdb -53.143612 2026-04-29 15:26:44 na-prot_8000.pdb -50.738503 2026-04-29 15:27:27 na-prot_8100.pdb -54.195277 2026-04-29 15:28:11 na-prot_8200.pdb -53.781579 2026-04-29 15:28:53 na-prot_8300.pdb -53.709692 2026-04-29 15:29:36 na-prot_8400.pdb -62.405406 2026-04-29 15:30:19 na-prot_8500.pdb -56.097770 2026-04-29 15:31:00 na-prot_8600.pdb -48.929450 2026-04-29 15:31:43 na-prot_8700.pdb -57.566199 2026-04-29 15:32:26 na-prot_8800.pdb -65.174478 2026-04-29 15:33:09 na-prot_8900.pdb -69.854046 2026-04-29 15:33:50 na-prot_9000.pdb -45.677741 2026-04-29 15:34:34 na-prot_9100.pdb -48.583737 2026-04-29 15:35:16 na-prot_9200.pdb -69.254192 2026-04-29 15:35:58 na-prot_9300.pdb -55.680893 2026-04-29 15:36:41 na-prot_9400.pdb -60.129282 2026-04-29 15:37:24 na-prot_9500.pdb -47.798620 2026-04-29 15:38:07 na-prot_9600.pdb -66.646503 2026-04-29 15:38:58 na-prot_9700.pdb -60.621144 2026-04-29 15:39:44 na-prot_9800.pdb -48.493142 2026-04-29 15:40:29 na-prot_9900.pdb -59.296795 2026-04-29 15:41:11 na-prot_10000.pdb -43.211848 2026-04-29 15:41:52 na-prot_10100.pdb -61.162700 2026-04-29 15:42:34 na-prot_10200.pdb -64.449293 2026-04-29 15:43:15 na-prot_10300.pdb -46.663292 2026-04-29 15:43:56 na-prot_10400.pdb -48.865045 2026-04-29 15:44:36 na-prot_10500.pdb -65.963724 2026-04-29 15:45:17 na-prot_10600.pdb -55.385058 2026-04-29 15:45:57 na-prot_10700.pdb -49.838606 2026-04-29 15:46:37 na-prot_10800.pdb -54.729021 2026-04-29 15:47:17 na-prot_10900.pdb -45.820900 2026-04-29 15:47:58 na-prot_11000.pdb -53.592544 2026-04-29 15:48:38 na-prot_11100.pdb -42.798284 2026-04-29 15:49:18 na-prot_11200.pdb -54.598054 2026-04-29 15:49:59 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-1.817673461 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_16400.pdb -0.829231146914 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_16500.pdb -0.360842453289 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_16600.pdb -0.835661236896 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_16700.pdb -1.51758300783 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_16800.pdb -2.40909796215 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_16900.pdb -1.13314077571 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_17000.pdb -0.103393626442 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_17100.pdb -0.751459982786 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_17200.pdb -3.16666533123 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_17300.pdb -1.72047347349 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_17400.pdb -1.30295390188 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_17500.pdb -2.11785768697 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_17600.pdb -1.35879783701 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_17700.pdb -1.43443539867 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_17800.pdb -2.72222919314 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_17900.pdb -0.221837503954 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_18000.pdb -0.201881644558 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_18100.pdb -1.69914954351 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_18200.pdb -2.05990786273 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_18300.pdb -1.60268983392 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_18400.pdb -0.12015004931 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_18500.pdb -1.1515133746 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_18600.pdb -1.26382086077 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_18700.pdb -1.97454400748 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_18800.pdb -0.907347138859 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_18900.pdb -1.50338020244 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19000.pdb -2.17620782412 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19100.pdb -1.73750052947 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19200.pdb -2.08714398469 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19300.pdb -1.86381294112 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19400.pdb -0.828684486551 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19500.pdb -2.96410101866 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19600.pdb -3.0072527866 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19700.pdb -0.42827206702 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19800.pdb -2.02434625806 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19900.pdb -0.211053170417 2026-04-29 16:47:46 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_20000.pdb -2.71952367954 2026-04-29 16:47:47 [..]95806266) ('/home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19994.pdb', -1.2927274133483564) ('/home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19995.pdb', -0.7008463931863301) ('/home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19996.pdb', -0.7296739740260628) ('/home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19997.pdb', -1.2379591193015007) ('/home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19998.pdb', -1.4955082306670977) ('/home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_19999.pdb', -1.8039558271061873) ('/home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_20000.pdb', -2.719523679538572) 17384.28user 983.05system 5:09:57elapsed 98%CPU (0avgtext+0avgdata 231888maxresident)k 5743336inputs+11524896outputs (58major+196553614minor)pagefaults 0swaps 2026-04-29 16:47:47 Clustering (cuttoff: 5, nr_clust: 100 ) in progress... 2026-04-29 16:47:47 time python /home/rpdock/run_gramm//clustering_v4.py dars_out.txt list.txt 5 100 2026-04-29 16:47:47 100 best scored structures 2026-04-29 16:47:47 1 na-prot_9950.pdb -5.59522171392 2026-04-29 16:47:47 2 na-prot_16225.pdb -5.56794515186 2026-04-29 16:47:47 3 na-prot_8256.pdb -5.3311242081 2026-04-29 16:47:47 4 na-prot_10912.pdb -5.23443678115 2026-04-29 16:47:47 5 na-prot_1015.pdb -5.10722899148 2026-04-29 16:47:47 6 na-prot_945.pdb -4.9734007841 2026-04-29 16:47:47 7 na-prot_26.pdb -4.9054021971 2026-04-29 16:47:47 8 na-prot_12937.pdb -4.82538516415 2026-04-29 16:47:47 9 na-prot_10.pdb -4.79103865389 2026-04-29 16:47:47 10 na-prot_1926.pdb -4.78671232996 2026-04-29 16:47:47 11 na-prot_4018.pdb -4.74460491833 2026-04-29 16:47:47 12 na-prot_2203.pdb -4.73529733767 2026-04-29 16:47:47 13 na-prot_10083.pdb -4.72553467224 2026-04-29 16:47:47 14 na-prot_114.pdb -4.71282005825 2026-04-29 16:47:47 15 na-prot_10423.pdb -4.69044843527 2026-04-29 16:47:47 16 na-prot_2693.pdb -4.6872032894 2026-04-29 16:47:47 17 na-prot_366.pdb -4.68695479396 2026-04-29 16:47:47 18 na-prot_5068.pdb -4.670461069 2026-04-29 16:47:47 19 na-prot_3483.pdb -4.66297415119 2026-04-29 16:47:47 20 na-prot_11675.pdb -4.61450686262 2026-04-29 16:47:47 21 na-prot_16317.pdb -4.60457879064 2026-04-29 16:47:47 22 na-prot_12612.pdb -4.60279210925 2026-04-29 16:47:47 23 na-prot_11655.pdb -4.52079598871 2026-04-29 16:47:47 24 na-prot_15731.pdb -4.50026340219 2026-04-29 16:47:47 25 na-prot_2746.pdb -4.49336236604 2026-04-29 16:47:47 26 na-prot_1091.pdb -4.49058851393 2026-04-29 16:47:47 27 na-prot_16472.pdb -4.48582272282 2026-04-29 16:47:47 28 na-prot_2730.pdb -4.45765303983 2026-04-29 16:47:47 29 na-prot_4793.pdb -4.45115723682 2026-04-29 16:47:47 30 na-prot_3789.pdb -4.44467892367 2026-04-29 16:47:47 31 na-prot_14234.pdb -4.44332040583 2026-04-29 16:47:47 32 na-prot_2540.pdb -4.40936570142 2026-04-29 16:47:47 33 na-prot_1650.pdb -4.40913743337 2026-04-29 16:47:47 34 na-prot_6934.pdb -4.39501441085 2026-04-29 16:47:47 35 na-prot_12432.pdb -4.38800479081 2026-04-29 16:47:47 36 na-prot_5743.pdb -4.38279408572 2026-04-29 16:47:47 37 na-prot_1612.pdb -4.37153809219 2026-04-29 16:47:47 38 na-prot_1477.pdb -4.36872253768 2026-04-29 16:47:47 39 na-prot_16767.pdb -4.35790090571 2026-04-29 16:47:47 40 na-prot_2863.pdb -4.34601190862 2026-04-29 16:47:47 41 na-prot_8907.pdb -4.34142032837 2026-04-29 16:47:47 42 na-prot_4394.pdb -4.33093025538 2026-04-29 16:47:47 43 na-prot_1929.pdb -4.32652911822 2026-04-29 16:47:47 44 na-prot_2809.pdb -4.31952739391 2026-04-29 16:47:47 45 na-prot_2412.pdb -4.31928831873 2026-04-29 16:47:47 46 na-prot_2549.pdb -4.31098682858 2026-04-29 16:47:47 47 na-prot_7286.pdb -4.30577451001 2026-04-29 16:47:47 48 na-prot_2409.pdb -4.30527106533 2026-04-29 16:47:47 49 na-prot_9834.pdb -4.30422483089 2026-04-29 16:47:47 50 na-prot_1219.pdb -4.30217450031 2026-04-29 16:47:47 51 na-prot_3464.pdb -4.29876044809 2026-04-29 16:47:47 52 na-prot_1486.pdb -4.28853164093 2026-04-29 16:47:47 53 na-prot_4740.pdb -4.28324017037 2026-04-29 16:47:47 54 na-prot_1313.pdb -4.28314246719 2026-04-29 16:47:47 55 na-prot_14597.pdb -4.28270507397 2026-04-29 16:47:47 56 na-prot_537.pdb -4.28258934373 2026-04-29 16:47:47 57 na-prot_1033.pdb -4.26660145445 2026-04-29 16:47:47 58 na-prot_7381.pdb -4.2488751416 2026-04-29 16:47:47 59 na-prot_6463.pdb -4.23633128131 2026-04-29 16:47:47 60 na-prot_12605.pdb -4.23113408401 2026-04-29 16:47:47 61 na-prot_522.pdb -4.23057289759 2026-04-29 16:47:47 62 na-prot_2414.pdb -4.21673730837 2026-04-29 16:47:47 63 na-prot_18479.pdb -4.20078257823 2026-04-29 16:47:47 64 na-prot_5084.pdb -4.20047102128 2026-04-29 16:47:47 65 na-prot_19852.pdb -4.19453453657 2026-04-29 16:47:47 66 na-prot_335.pdb -4.18442850971 2026-04-29 16:47:47 67 na-prot_6505.pdb -4.17052489505 2026-04-29 16:47:47 68 na-prot_3618.pdb -4.1684276314 2026-04-29 16:47:47 69 na-prot_3570.pdb -4.16704556945 2026-04-29 16:47:47 70 na-prot_57.pdb -4.1662379288 2026-04-29 16:47:47 71 na-prot_6636.pdb -4.16267674676 2026-04-29 16:47:47 72 na-prot_7437.pdb -4.16108314683 2026-04-29 16:47:47 73 na-prot_8279.pdb -4.15625899802 2026-04-29 16:47:47 74 na-prot_13938.pdb -4.15419721588 2026-04-29 16:47:47 75 na-prot_4369.pdb -4.15378834537 2026-04-29 16:47:47 76 na-prot_845.pdb -4.1505064633 2026-04-29 16:47:47 77 na-prot_263.pdb -4.14790726195 2026-04-29 16:47:47 78 na-prot_3862.pdb -4.14717197395 2026-04-29 16:47:47 79 na-prot_3059.pdb -4.14700335979 2026-04-29 16:47:47 80 na-prot_18177.pdb -4.1425614653 2026-04-29 16:47:47 81 na-prot_381.pdb -4.13353708662 2026-04-29 16:47:47 82 na-prot_5998.pdb -4.13107495119 2026-04-29 16:47:47 83 na-prot_3260.pdb -4.13020066785 2026-04-29 16:47:47 84 na-prot_15118.pdb -4.1296028579 2026-04-29 16:47:47 85 na-prot_7613.pdb -4.12760299613 2026-04-29 16:47:47 86 na-prot_1296.pdb -4.11648359289 2026-04-29 16:47:47 87 na-prot_4771.pdb -4.11319526238 2026-04-29 16:47:47 88 na-prot_15486.pdb -4.104248618 2026-04-29 16:47:47 89 na-prot_75.pdb -4.10092747598 2026-04-29 16:47:47 90 na-prot_13388.pdb -4.0998359906 2026-04-29 16:47:47 91 na-prot_5269.pdb -4.0966993473 2026-04-29 16:47:47 92 na-prot_6293.pdb -4.09349823393 2026-04-29 16:47:47 93 na-prot_4094.pdb -4.09267326998 2026-04-29 16:47:47 94 na-prot_14336.pdb -4.08563051749 2026-04-29 16:47:47 95 na-prot_223.pdb -4.08433579066 2026-04-29 16:47:47 96 na-prot_3358.pdb -4.0796379261 2026-04-29 16:47:47 97 na-prot_6167.pdb -4.07962309458 2026-04-29 16:47:47 98 na-prot_3348.pdb -4.07641434779 2026-04-29 16:47:47 99 na-prot_658.pdb -4.07622284734 2026-04-29 16:47:47 100 na-prot_598.pdb -4.0749119682 2026-04-29 16:47:47 Chains: A 2026-04-29 16:48:11 100 best scored structures 2026-04-29 16:48:11 GRAMM analysis selected for further analysis: prot-na_10 2026-04-29 16:48:11 Cluster #1 with 100 structures 2026-04-29 16:48:11 1 na-prot_9950.pdb -5.59522171392 2026-04-29 16:48:11 2 na-prot_16225.pdb -5.56794515186 2026-04-29 16:48:11 3 na-prot_8256.pdb -5.3311242081 2026-04-29 16:48:11 4 na-prot_10912.pdb -5.23443678115 2026-04-29 16:48:11 5 na-prot_1015.pdb -5.10722899148 2026-04-29 16:48:11 6 na-prot_945.pdb -4.9734007841 2026-04-29 16:48:11 7 na-prot_26.pdb -4.9054021971 2026-04-29 16:48:11 8 na-prot_12937.pdb -4.82538516415 2026-04-29 16:48:11 9 na-prot_10.pdb -4.79103865389 2026-04-29 16:48:11 10 na-prot_1926.pdb -4.78671232996 2026-04-29 16:48:11 11 na-prot_4018.pdb -4.74460491833 2026-04-29 16:48:11 12 na-prot_2203.pdb -4.73529733767 2026-04-29 16:48:11 13 na-prot_10083.pdb -4.72553467224 2026-04-29 16:48:11 14 na-prot_114.pdb -4.71282005825 2026-04-29 16:48:11 15 na-prot_10423.pdb -4.69044843527 2026-04-29 16:48:11 16 na-prot_2693.pdb -4.6872032894 2026-04-29 16:48:11 17 na-prot_366.pdb -4.68695479396 2026-04-29 16:48:11 18 na-prot_5068.pdb -4.670461069 2026-04-29 16:48:11 19 na-prot_3483.pdb -4.66297415119 2026-04-29 16:48:11 20 na-prot_11675.pdb -4.61450686262 2026-04-29 16:48:11 21 na-prot_16317.pdb -4.60457879064 2026-04-29 16:48:11 22 na-prot_12612.pdb -4.60279210925 2026-04-29 16:48:11 23 na-prot_11655.pdb -4.52079598871 2026-04-29 16:48:11 24 na-prot_15731.pdb -4.50026340219 2026-04-29 16:48:11 25 na-prot_2746.pdb -4.49336236604 2026-04-29 16:48:11 26 na-prot_1091.pdb -4.49058851393 2026-04-29 16:48:11 27 na-prot_16472.pdb -4.48582272282 2026-04-29 16:48:11 28 na-prot_2730.pdb -4.45765303983 2026-04-29 16:48:11 29 na-prot_4793.pdb -4.45115723682 2026-04-29 16:48:11 30 na-prot_3789.pdb -4.44467892367 2026-04-29 16:48:11 31 na-prot_14234.pdb -4.44332040583 2026-04-29 16:48:11 32 na-prot_2540.pdb -4.40936570142 2026-04-29 16:48:11 33 na-prot_1650.pdb -4.40913743337 2026-04-29 16:48:11 34 na-prot_6934.pdb -4.39501441085 2026-04-29 16:48:11 35 na-prot_12432.pdb -4.38800479081 2026-04-29 16:48:11 36 na-prot_5743.pdb -4.38279408572 2026-04-29 16:48:11 37 na-prot_1612.pdb -4.37153809219 2026-04-29 16:48:11 38 na-prot_1477.pdb -4.36872253768 2026-04-29 16:48:11 39 na-prot_16767.pdb -4.35790090571 2026-04-29 16:48:11 40 na-prot_2863.pdb -4.34601190862 2026-04-29 16:48:11 41 na-prot_8907.pdb -4.34142032837 2026-04-29 16:48:11 42 na-prot_4394.pdb -4.33093025538 2026-04-29 16:48:11 43 na-prot_1929.pdb -4.32652911822 2026-04-29 16:48:11 44 na-prot_2809.pdb -4.31952739391 2026-04-29 16:48:11 45 na-prot_2412.pdb -4.31928831873 2026-04-29 16:48:11 46 na-prot_2549.pdb -4.31098682858 2026-04-29 16:48:11 47 na-prot_7286.pdb -4.30577451001 2026-04-29 16:48:11 48 na-prot_2409.pdb -4.30527106533 2026-04-29 16:48:11 49 na-prot_9834.pdb -4.30422483089 2026-04-29 16:48:11 50 na-prot_1219.pdb -4.30217450031 2026-04-29 16:48:11 51 na-prot_3464.pdb -4.29876044809 2026-04-29 16:48:11 52 na-prot_1486.pdb -4.28853164093 2026-04-29 16:48:11 53 na-prot_4740.pdb -4.28324017037 2026-04-29 16:48:11 54 na-prot_1313.pdb -4.28314246719 2026-04-29 16:48:11 55 na-prot_14597.pdb -4.28270507397 2026-04-29 16:48:11 56 na-prot_537.pdb -4.28258934373 2026-04-29 16:48:11 57 na-prot_1033.pdb -4.26660145445 2026-04-29 16:48:11 58 na-prot_7381.pdb -4.2488751416 2026-04-29 16:48:11 59 na-prot_6463.pdb -4.23633128131 2026-04-29 16:48:11 60 na-prot_12605.pdb -4.23113408401 2026-04-29 16:48:11 61 na-prot_522.pdb -4.23057289759 2026-04-29 16:48:11 62 na-prot_2414.pdb -4.21673730837 2026-04-29 16:48:11 63 na-prot_18479.pdb -4.20078257823 2026-04-29 16:48:11 64 na-prot_5084.pdb -4.20047102128 2026-04-29 16:48:11 65 na-prot_19852.pdb -4.19453453657 2026-04-29 16:48:11 66 na-prot_335.pdb -4.18442850971 2026-04-29 16:48:11 67 na-prot_6505.pdb -4.17052489505 2026-04-29 16:48:11 68 na-prot_3618.pdb -4.1684276314 2026-04-29 16:48:11 69 na-prot_3570.pdb -4.16704556945 2026-04-29 16:48:11 70 na-prot_57.pdb -4.1662379288 2026-04-29 16:48:11 71 na-prot_6636.pdb -4.16267674676 2026-04-29 16:48:11 72 na-prot_7437.pdb -4.16108314683 2026-04-29 16:48:11 73 na-prot_8279.pdb -4.15625899802 2026-04-29 16:48:11 74 na-prot_13938.pdb -4.15419721588 2026-04-29 16:48:11 75 na-prot_4369.pdb -4.15378834537 2026-04-29 16:48:11 76 na-prot_845.pdb -4.1505064633 2026-04-29 16:48:11 77 na-prot_263.pdb -4.14790726195 2026-04-29 16:48:11 78 na-prot_3862.pdb -4.14717197395 2026-04-29 16:48:11 79 na-prot_3059.pdb -4.14700335979 2026-04-29 16:48:11 80 na-prot_18177.pdb -4.1425614653 2026-04-29 16:48:11 81 na-prot_381.pdb -4.13353708662 2026-04-29 16:48:11 82 na-prot_5998.pdb -4.13107495119 2026-04-29 16:48:11 83 na-prot_3260.pdb -4.13020066785 2026-04-29 16:48:11 84 na-prot_15118.pdb -4.1296028579 2026-04-29 16:48:11 85 na-prot_7613.pdb -4.12760299613 2026-04-29 16:48:11 86 na-prot_1296.pdb -4.11648359289 2026-04-29 16:48:11 87 na-prot_4771.pdb -4.11319526238 2026-04-29 16:48:11 88 na-prot_15486.pdb -4.104248618 2026-04-29 16:48:11 89 na-prot_75.pdb -4.10092747598 2026-04-29 16:48:11 90 na-prot_13388.pdb -4.0998359906 2026-04-29 16:48:11 91 na-prot_5269.pdb -4.0966993473 2026-04-29 16:48:11 92 na-prot_6293.pdb -4.09349823393 2026-04-29 16:48:11 93 na-prot_4094.pdb -4.09267326998 2026-04-29 16:48:11 94 na-prot_14336.pdb -4.08563051749 2026-04-29 16:48:11 95 na-prot_223.pdb -4.08433579066 2026-04-29 16:48:11 96 na-prot_3358.pdb -4.0796379261 2026-04-29 16:48:11 97 na-prot_6167.pdb -4.07962309458 2026-04-29 16:48:11 98 na-prot_3348.pdb -4.07641434779 2026-04-29 16:48:11 99 na-prot_658.pdb -4.07622284734 2026-04-29 16:48:11 100 na-prot_598.pdb -4.0749119682 2026-04-29 16:48:11 Sent to refinement: clusters_found|na-prot_9950.pdb 2026-04-29 16:48:11 Sent to refinement: clusters_found|na-prot_9950.pdb 2026-04-29 16:48:11 DARS clustering end 2026-04-29 16:48:11 MC (refinement) init 2026-04-29 16:48:11 python /home/rpdock/run_gramm//run_mc.py -f dars_to_mc.txt -d /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/ 2026-04-29 16:48:11 Refinement of #1 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/na-prot_9950.pdb 2026-04-29 16:48:11 python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2//ref_struc/na-prot_9950/na-prot_9950.pdb 2026-04-29 16:53:14 run_mc::stderr:Segmentation fault (core dumped) 2026-04-29 16:53:14 start - parameters: File name /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2//ref_struc/na-prot_9950/na-prot_9950.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2//ref_struc/na-prot_9950/na-prot_9950.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue DC1 in the chain A has not P atom 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 - -486838.85 -906955.83 -219883.02 640000.00 1 T -466899.17 -890997.60 -215901.57 640000.00 T= 15000.0 K progress 0.1 2 R -475539.66 -899580.71 -215958.95 640000.00 T= 14985.295 K progress 0.2 3 T -497367.25 -781520.96 -195846.29 480000.00 T= 14970.59 K progress 0.3 4 R -553438.87 -825329.84 -208109.02 480000.00 T= 14941.18 K progress 0.4 5 T -447208.85 -764483.39 -162725.46 480000.00 T= 14926.475 K progress 0.5 6 T -537100.07 -728607.86 -168492.21 360000.00 T= 14897.065 K progress 0.6 7 R -494046.46 -741096.47 -152949.99 400000.00 T= 14882.36 K progress 0.7 8 R -377957.95 -784827.50 -153130.45 560000.00 T= 14867.655 K progress 0.8 9 R -479869.69 -793552.69 -166317.00 480000.00 T= 14852.95 K progress 0.9 10 R -324669.62 -730633.82 -154035.80 560000.00 T= 14794.13 K progress 1.0 11 R -214214.82 -742635.95 -151578.87 680000.00 T= 14779.425 K progress 1.1 12 T -292645.49 -730946.17 -161699.32 600000.00 T= 14750.015 K progress 1.2 13 T -170156.38 -624975.49 -145180.89 600000.00 T= 14735.31 K progress 1.3 14 R -170487.73 -637233.85 -133253.88 600000.00 T= 14720.605 K progress 1.4 15 R -167474.98 -634377.88 -133097.10 600000.00 T= 14705.9 K progress 1.5 16 R -170646.48 -641430.60 -129215.89 600000.00 T= 14691.195 K progress 1.6 17 R -335068.97 -647267.89 -127801.08 440000.00 T= 14661.785 K progress 1.7 18 T -357700.01 -673959.13 -123740.89 440000.00 T= 14632.375 K progress 1.8 19 T -198170.18 -603032.22 -115137.97 520000.00 T= 14617.67 K progress 1.9 20 T -387720.63 -515168.05 -112552.58 240000.00 T= 14602.965 K progress 2.0 21 T -403560.85 -565339.48 -118221.36 280000.00 T= 14573.555 K progress 2.1 22 R -385106.27 -545973.69 -119132.58 280000.00 T= 14544.145 K progress 2.2 23 R -438603.06 -561568.39 -117034.68 240000.00 T= 14529.44 K progress 2.3 24 R -386253.57 -547120.99 -119132.58 280000.00 T= 14500.03 K progress 2.4 25 R -382844.92 -543712.34 -119132.58 280000.00 T= 14485.325 K progress 2.5 26 R -404987.85 -563430.38 -121557.47 280000.00 T= 14470.62 K progress 2.6 27 R -414569.30 -576222.28 -118347.03 280000.00 T= 14411.8 K progress 2.7 28 R -408669.32 -532610.54 -116058.78 240000.00 T= 14382.39 K progress 2.8 29 T -395895.01 -556413.81 -119481.20 280000.00 T= 14367.685 K progress 2.9 30 R -396743.62 -555114.20 -121629.42 280000.00 T= 14352.98 K progress 3.0 31 T -546220.58 -691584.90 -134635.68 280000.00 T= 14308.865 K progress 3.1 32 T -411712.86 -678340.66 -133372.19 400000.00 T= 14264.75 K progress 3.2 33 R -452459.77 -738213.12 -154246.66 440000.00 T= 14250.045 K progress 3.3 34 T -405878.62 -763055.56 -162823.06 520000.00 T= 14235.34 K progress 3.4 35 T -534574.65 -764353.26 -170221.39 400000.00 T= 14176.52 K progress 3.5 36 T -497707.16 -704597.84 -153109.31 360000.00 T= 14102.995 K progress 3.6 37 R -444489.54 -663999.53 -140490.02 360000.00 T= 14088.29 K progress 3.7 38 T -354969.35 -592358.37 -122610.98 360000.00 T= 14073.585 K progress 3.8 39 R -514336.79 -579133.62 -135203.16 200000.00 T= 14058.88 K progress 3.9 40 R -611177.46 -614190.35 -156987.11 160000.00 T= 14044.175 K progress 4.0 41 R -600861.10 -608019.41 -152841.69 160000.00 T= 14029.47 K progress 4.1 42 R -601844.08 -604540.44 -157303.64 160000.00 T= 14000.06 K progress 4.2 43 T -395928.91 -640823.39 -155105.52 400000.00 T= 13941.24 K progress 4.3 44 T -358145.22 -680712.63 -157432.59 480000.00 T= 13911.83 K progress 4.4 45 T -214946.67 -692205.72 -162740.95 640000.00 T= 13897.125 K progress 4.5 46 R -214946.67 -692205.72 -162740.95 640000.00 T= 13882.42 K progress 4.6 47 R -209838.45 -711355.75 -178482.70 680000.00 T= 13867.715 K progress 4.7 48 R 25514.12 -683245.60 -171240.28 880000.00 T= 13853.01 K progress 4.8 49 T -281940.99 -648453.01 -153487.98 520000.00 T= 13838.305 K progress 4.9 50 T -351929.91 -633204.56 -158725.35 440000.00 T= 13823.6 K progress 5.0 51 R -480366.84 -643303.43 -157063.41 320000.00 T= 13808.895 K progress 5.1 52 R -501664.59 -654642.80 -167021.79 320000.00 T= 13794.19 K progress 5.2 53 T -268819.69 -627352.31 -161467.39 520000.00 T= 13779.485 K progress 5.3 54 T -278914.85 -564990.65 -153924.20 440000.00 T= 13750.075 K progress 5.4 55 R -178788.09 -553115.63 -145672.46 520000.00 T= 13735.37 K progress 5.5 56 T -211684.37 -639916.78 -171767.59 600000.00 T= 13705.96 K progress 5.6 57 R -361194.95 -624714.40 -176480.55 440000.00 T= 13691.255 K progress 5.7 58 R -358441.85 -617333.60 -181108.25 440000.00 T= 13676.55 K progress 5.8 59 T -379626.41 -645358.16 -174268.25 440000.00 T= 13661.845 K progress 5.9 60 R -325709.82 -627242.53 -178467.29 480000.00 T= 13632.435 K progress 6.0 61 R -331389.52 -631004.79 -180384.73 480000.00 T= 13603.025 K progress 6.1 62 R -342559.45 -648786.21 -173773.24 480000.00 T= 13588.32 K progress 6.2 63 R -342559.45 -648786.21 -173773.24 480000.00 T= 13529.5 K progress 6.3 64 R -338734.07 -650900.43 -167833.64 480000.00 T= 13514.795 K progress 6.4 65 R -335046.51 -647212.87 -167833.64 480000.00 T= 13500.09 K progress 6.5 66 T -450781.91 -740207.58 -190574.33 480000.00 T= 13485.385 K progress 6.6 67 R -453359.38 -742869.77 -190489.61 480000.00 T= 13470.68 K progress 6.7 68 R -428781.96 -726419.29 -182362.67 480000.00 T= 13441.27 K progress 6.8 69 R -352788.10 -702568.59 -170219.51 520000.00 T= 13367.745 K progress 6.9 70 R -285430.65 -734556.03 -190874.61 640000.00 T= 13279.515 K progress 7.0 71 R -300701.78 -721935.05 -178766.73 600000.00 T= 13264.81 K progress 7.1 72 R -263093.16 -712515.90 -190577.26 640000.00 T= 13205.99 K progress 7.2 73 T -233630.01 -694243.53 -179386.48 640000.00 T= 13176.58 K progress 7.3 74 R -340057.36 -659101.86 -160955.50 480000.00 T= 13147.17 K progress 7.4 75 R -241501.50 -628354.96 -173146.54 560000.00 T= 13132.465 K progress 7.5 76 T -390140.05 -752242.00 -197898.05 560000.00 T= 13117.76 K progress 7.6 77 T -224867.75 -808758.99 -216108.75 800000.00 T= 13088.35 K progress 7.7 78 R -330082.16 -810354.94 -199727.22 680000.00 T= 13073.645 K progress 7.8 79 T -108861.46 -687799.36 -181062.10 760000.00 T= 13044.235 K progress 7.9 80 R -221268.25 -682505.20 -178763.05 640000.00 T= 13029.53 K progress 8.0 81 T -281916.63 -731606.48 -190310.14 640000.00 T= 13014.825 K progress 8.1 82 T -520906.39 -794592.32 -206314.07 480000.00 T= 13000.12 K progress 8.2 83 R -522103.76 -795879.24 -206224.53 480000.00 T= 12985.415 K progress 8.3 84 T -617058.27 -766035.22 -211023.05 360000.00 T= 12970.71 K progress 8.4 85 T -688356.87 -766517.53 -201839.34 280000.00 T= 12911.89 K progress 8.5 86 R -575415.25 -779518.33 -195896.92 400000.00 T= 12897.185 K progress 8.6 87 R -578623.97 -782727.05 -195896.92 400000.00 T= 12867.775 K progress 8.7 88 T -848853.45 -841916.53 -206936.92 200000.00 T= 12853.07 K progress 8.8 89 T -817433.95 -875824.76 -221609.19 280000.00 T= 12823.66 K progress 8.9 90 R -817631.74 -876035.39 -221596.35 280000.00 T= 12808.955 K progress 9.0 91 T -699924.21 -904832.51 -235091.70 440000.00 T= 12779.545 K progress 9.1 92 T -817159.24 -871478.27 -225680.97 280000.00 T= 12750.135 K progress 9.2 93 R -770993.59 -866667.40 -224326.20 320000.00 T= 12735.43 K progress 9.3 94 R -816533.26 -865305.33 -231227.93 280000.00 T= 12691.315 K progress 9.4 95 R -821867.51 -876267.11 -225600.40 280000.00 T= 12676.61 K progress 9.5 96 R -803500.48 -859440.15 -224060.33 280000.00 T= 12661.905 K progress 9.6 97 R -773863.18 -875893.40 -217969.78 320000.00 T= 12573.675 K progress 9.7 98 T -728274.48 -919918.87 -248355.61 440000.00 T= 12558.97 K progress 9.8 99 R -740354.41 -927900.19 -252454.21 440000.00 T= 12529.56 K progress 9.9 100 R -694770.95 -861168.39 -233602.55 400000.00 T= 12485.445 K progress 10.0 101 T -732715.00 -858422.54 -234292.45 360000.00 T= 12470.74 K progress 10.1 102 T -604451.82 -919024.75 -245427.07 560000.00 T= 12426.625 K progress 10.2 103 R -534986.61 -925766.11 -249220.49 640000.00 T= 12411.92 K progress 10.3 104 T -553213.46 -834879.57 -238333.90 520000.00 T= 12397.215 K progress 10.4 105 T -860365.47 -837564.65 -222800.82 200000.00 T= 12367.805 K progress 10.5 106 R -823412.62 -805694.07 -217718.56 200000.00 T= 12338.395 K progress 10.6 107 T -794169.07 -837615.97 -236553.10 280000.00 T= 12323.69 K progress 10.7 108 R -791489.19 -834936.09 -236553.10 280000.00 T= 12250.165 K progress 10.8 109 R -855094.90 -850535.66 -244559.23 240000.00 T= 12235.46 K progress 10.9 110 R -883173.00 -842597.52 -240575.47 200000.00 T= 12132.525 K progress 11.0 111 R -820462.41 -824578.07 -235884.34 240000.00 T= 12059.0 K progress 11.1 112 T -794100.68 -873910.19 -240190.49 320000.00 T= 12000.18 K progress 11.2 113 R -612564.45 -814345.95 -238218.49 440000.00 T= 11970.77 K progress 11.3 114 R -793967.91 -867201.86 -246766.05 320000.00 T= 11956.065 K progress 11.4 115 R -804229.57 -858051.84 -226177.74 280000.00 T= 11926.655 K progress 11.5 116 R -814686.34 -871555.50 -223130.84 280000.00 T= 11897.245 K progress 11.6 117 R -824663.20 -876233.61 -228429.59 280000.00 T= 11853.13 K progress 11.7 118 R -718822.65 -821842.93 -216979.73 320000.00 T= 11809.015 K progress 11.8 119 T -769833.43 -854677.49 -235155.93 320000.00 T= 11794.31 K progress 11.9 120 R -739474.43 -842680.44 -216793.99 320000.00 T= 11750.195 K progress 12.0 121 T -704245.46 -849196.16 -215049.30 360000.00 T= 11735.49 K progress 12.1 122 R -701635.36 -846552.28 -215083.09 360000.00 T= 11720.785 K progress 12.2 123 T -601802.27 -800455.32 -201346.95 400000.00 T= 11706.08 K progress 12.3 124 R -723113.47 -833055.23 -250058.24 360000.00 T= 11676.67 K progress 12.4 125 R -726385.13 -841119.01 -245266.13 360000.00 T= 11588.44 K progress 12.5 126 T -801289.14 -783613.64 -217675.49 200000.00 T= 11573.735 K progress 12.6 127 R -658296.05 -721080.46 -177215.58 240000.00 T= 11529.62 K progress 12.7 128 R -596713.94 -704952.15 -171761.79 280000.00 T= 11485.505 K progress 12.8 129 T -540377.92 -764281.52 -176096.40 400000.00 T= 11470.8 K progress 12.9 130 R -557251.06 -780391.87 -176859.19 400000.00 T= 11456.095 K progress 13.0 131 R -565676.54 -787153.67 -178522.87 400000.00 T= 11397.275 K progress 13.1 132 R -547548.14 -767995.85 -179552.29 400000.00 T= 11382.57 K progress 13.2 133 T -718834.87 -804467.11 -194367.75 280000.00 T= 11338.455 K progress 13.3 134 R -701689.05 -783287.19 -198401.87 280000.00 T= 11309.045 K progress 13.4 135 R -710212.33 -787960.32 -202252.01 280000.00 T= 11279.635 K progress 13.5 136 R -718561.84 -797514.96 -201046.87 280000.00 T= 11235.52 K progress 13.6 137 R -708388.93 -792741.09 -195647.84 280000.00 T= 11191.405 K progress 13.7 138 R -724918.95 -804615.61 -200303.35 280000.00 T= 11176.7 K progress 13.8 139 T -772803.77 -803456.41 -209347.35 240000.00 T= 11147.29 K progress 13.9 140 T -799478.73 -829442.50 -210036.23 240000.00 T= 11029.65 K progress 14.0 141 T -868277.07 -885882.27 -222394.80 240000.00 T= 10941.42 K progress 14.1 142 T -641334.53 -904557.62 -216776.91 480000.00 T= 10882.6 K progress 14.2 143 T -683919.53 -898759.26 -225160.26 440000.00 T= 10867.895 K progress 14.3 144 R -759306.58 -955335.09 -243971.49 440000.00 T= 10853.19 K progress 14.4 145 R -860163.77 -910741.13 -229422.64 280000.00 T= 10838.485 K progress 14.5 146 R -757701.31 -955455.18 -242246.13 440000.00 T= 10809.075 K progress 14.6 147 R -920687.56 -937265.86 -263421.71 280000.00 T= 10794.37 K progress 14.7 148 R -892763.75 -917792.10 -254971.65 280000.00 T= 10676.73 K progress 14.8 149 R -727774.90 -869203.17 -258571.74 400000.00 T= 10647.32 K progress 14.9 150 R -719712.69 -856691.69 -263021.00 400000.00 T= 10632.615 K progress 15.0 151 R -723187.10 -861823.15 -261363.94 400000.00 T= 10588.5 K progress 15.1 152 R -724842.02 -865382.19 -259459.83 400000.00 T= 10559.09 K progress 15.2 153 T -688869.42 -978312.73 -270556.69 560000.00 T= 10544.385 K progress 15.3 154 R -688311.45 -977754.76 -270556.69 560000.00 T= 10470.86 K progress 15.4 155 R -741544.69 -937460.09 -284084.60 480000.00 T= 10426.745 K progress 15.5 156 T -728971.29 -936956.59 -272014.70 480000.00 T= 10397.335 K progress 15.6 157 R -819675.09 -980278.93 -279396.16 440000.00 T= 10353.22 K progress 15.7 158 R -819675.09 -980278.93 -279396.16 440000.00 T= 10338.515 K progress 15.8 159 R -754348.38 -954118.66 -280229.72 480000.00 T= 10294.4 K progress 15.9 160 T -791643.27 -978426.50 -253216.77 440000.00 T= 10103.235 K progress 16.0 161 R -811695.56 -973975.74 -237719.82 400000.00 T= 10044.415 K progress 16.1 162 R -783128.43 -977911.78 -245216.65 440000.00 T= 10029.71 K progress 16.2 163 R -764179.08 -961823.69 -242355.39 440000.00 T= 9985.595 K progress 16.3 164 R -764179.08 -961823.69 -242355.39 440000.00 T= 9970.89 K progress 16.4 165 T -718596.39 -885929.19 -232667.20 400000.00 T= 9941.48 K progress 16.5 166 T -688990.02 -861881.94 -227108.09 400000.00 T= 9926.775 K progress 16.6 167 R -732003.16 -893919.09 -238084.08 400000.00 T= 9912.07 K progress 16.7 168 T -934374.60 -896339.70 -238034.90 200000.00 T= 9897.365 K progress 16.8 169 R -848271.28 -869202.73 -219068.55 240000.00 T= 9823.84 K progress 16.9 170 T -715943.27 -828011.15 -207932.12 320000.00 T= 9794.43 K progress 17.0 171 T -697255.51 -719652.87 -177602.64 200000.00 T= 9779.725 K progress 17.1 172 T -639775.28 -705885.50 -173889.78 240000.00 T= 9765.02 K progress 17.2 173 R -734605.98 -749974.49 -184631.49 200000.00 T= 9735.61 K progress 17.3 174 R -670302.56 -729703.03 -180599.53 240000.00 T= 9706.2 K progress 17.4 175 R -637065.83 -738342.73 -178723.10 280000.00 T= 9691.495 K progress 17.5 176 R -639159.10 -734014.24 -185144.86 280000.00 T= 9676.79 K progress 17.6 177 T -603188.43 -627860.01 -175328.41 200000.00 T= 9632.675 K progress 17.7 178 R -599858.38 -695608.83 -184249.56 280000.00 T= 9617.97 K progress 17.8 179 R -555959.83 -669801.63 -166158.20 280000.00 T= 9588.56 K progress 17.9 180 T -646082.27 -575337.09 -150745.18 80000.00 T= 9573.855 K progress 18.0 181 T -395730.43 -445078.58 -110651.85 160000.00 T= 9500.33 K progress 18.1 182 R -427819.37 -434301.79 -113517.58 120000.00 T= 9485.625 K progress 18.2 183 R -502014.73 -482357.39 -139657.34 120000.00 T= 9470.92 K progress 18.3 184 T -512899.53 -562586.36 -150313.16 200000.00 T= 9456.215 K progress 18.4 185 R -491002.85 -573657.69 -157345.16 240000.00 T= 9441.51 K progress 18.5 186 T -491797.10 -547865.10 -143931.99 200000.00 T= 9412.1 K progress 18.6 187 R -550622.15 -568799.13 -141823.02 160000.00 T= 9397.395 K progress 18.7 188 T -512305.38 -657247.53 -175057.85 320000.00 T= 9382.69 K progress 18.8 189 R -672573.73 -658694.17 -173879.56 160000.00 T= 9353.28 K progress 18.9 190 T -666125.78 -729538.93 -176586.85 240000.00 T= 9309.165 K progress 19.0 191 T -515987.60 -586663.41 -169324.19 240000.00 T= 9294.46 K progress 19.1 192 R -514149.78 -594177.54 -159972.24 240000.00 T= 9265.05 K progress 19.2 193 T -655384.78 -746727.49 -188657.29 280000.00 T= 9235.64 K progress 19.3 194 R -640369.98 -732610.21 -187759.76 280000.00 T= 9206.23 K progress 19.4 195 R -639431.26 -727654.77 -191776.48 280000.00 T= 9176.82 K progress 19.5 196 T -574377.81 -644946.54 -169431.27 240000.00 T= 9147.41 K progress 19.6 197 T -582880.75 -657718.74 -165162.01 240000.00 T= 9132.705 K progress 19.7 198 R -533143.70 -640183.16 -172960.54 280000.00 T= 9118.0 K progress 19.8 199 T -635773.51 -746641.14 -209132.37 320000.00 T= 9103.295 K progress 19.9 200 R -619666.08 -726645.86 -213020.22 320000.00 T= 9015.065 K progress 20.0 Long traj 201 R -641254.23 -744521.31 -216732.92 320000.00 T= 8985.655 K progress 20.1 202 R -549360.45 -713267.98 -196092.48 360000.00 T= 8970.95 K progress 20.2 203 R -583011.50 -702513.97 -200497.52 320000.00 T= 8956.245 K progress 20.3 204 T -738444.72 -849386.77 -209057.95 320000.00 T= 8926.835 K progress 20.4 205 T -686307.22 -738745.76 -187561.46 240000.00 T= 8912.13 K progress 20.5 206 R -667395.38 -712527.58 -194867.80 240000.00 T= 8897.425 K progress 20.6 207 T -796548.60 -864545.88 -212002.72 280000.00 T= 8868.015 K progress 20.7 208 R -785723.26 -858599.37 -207123.89 280000.00 T= 8853.31 K progress 20.8 209 R -824229.33 -878925.84 -225303.49 280000.00 T= 8823.9 K progress 20.9 210 R -788334.58 -861133.83 -207200.75 280000.00 T= 8735.67 K progress 21.0 211 R -778648.36 -850955.36 -207693.00 280000.00 T= 8720.965 K progress 21.1 212 R -794130.88 -859217.01 -214913.87 280000.00 T= 8706.26 K progress 21.2 213 R -805902.21 -866215.63 -219686.59 280000.00 T= 8676.85 K progress 21.3 214 R -746303.26 -909583.98 -236719.28 400000.00 T= 8662.145 K progress 21.4 215 R -688769.93 -898353.76 -230416.17 440000.00 T= 8632.735 K progress 21.5 216 R -744752.40 -908276.68 -236475.72 400000.00 T= 8618.03 K progress 21.6 217 R -798809.46 -865271.85 -213537.61 280000.00 T= 8588.62 K progress 21.7 218 R -795461.92 -861798.77 -213663.15 280000.00 T= 8573.915 K progress 21.8 219 R -816125.25 -870962.05 -225163.20 280000.00 T= 8559.21 K progress 21.9 220 T -761974.17 -758151.93 -203822.23 200000.00 T= 8485.685 K progress 22.0 221 R -774350.03 -769080.33 -205269.70 200000.00 T= 8412.16 K progress 22.1 222 R -774698.91 -769518.39 -205180.52 200000.00 T= 8397.455 K progress 22.2 223 R -797685.80 -799196.51 -198489.29 200000.00 T= 8353.34 K progress 22.3 224 R -793763.01 -795466.38 -198296.63 200000.00 T= 8279.815 K progress 22.4 225 R -759860.15 -759001.83 -200858.31 200000.00 T= 8265.11 K progress 22.5 226 R -793955.82 -795659.19 -198296.63 200000.00 T= 8235.7 K progress 22.6 227 R -794836.21 -792288.56 -202547.66 200000.00 T= 8206.29 K progress 22.7 228 R -790884.37 -789679.79 -201204.58 200000.00 T= 8132.765 K progress 22.8 229 R -790838.54 -789626.06 -201212.48 200000.00 T= 8103.355 K progress 22.9 230 R -746334.33 -794550.94 -191783.38 240000.00 T= 8073.945 K progress 23.0 231 R -757341.69 -797254.84 -200086.85 240000.00 T= 8059.24 K progress 23.1 232 R -762816.77 -802847.84 -199968.92 240000.00 T= 8029.83 K progress 23.2 233 R -773354.13 -816026.52 -197327.61 240000.00 T= 7985.715 K progress 23.3 234 T -887166.30 -871608.77 -215557.54 200000.00 T= 7971.01 K progress 23.4 235 R -910759.18 -889886.96 -220872.22 200000.00 T= 7926.895 K progress 23.5 236 R -916095.35 -896308.33 -219787.02 200000.00 T= 7838.665 K progress 23.6 237 R -854130.69 -869485.86 -224644.82 240000.00 T= 7809.255 K progress 23.7 238 R -935847.12 -878779.08 -217068.05 160000.00 T= 7750.435 K progress 23.8 239 T -896323.22 -851009.20 -205314.02 160000.00 T= 7706.32 K progress 23.9 240 R -822429.62 -819334.15 -203095.47 200000.00 T= 7603.385 K progress 24.0 241 R -821262.86 -814924.04 -206338.83 200000.00 T= 7559.27 K progress 24.1 242 R -896110.78 -850830.20 -205280.57 160000.00 T= 7544.565 K progress 24.2 243 T -788009.95 -823102.12 -204907.83 240000.00 T= 7500.45 K progress 24.3 244 R -812399.86 -811681.01 -200718.85 200000.00 T= 7485.745 K progress 24.4 245 R -794505.90 -828339.93 -206165.97 240000.00 T= 7456.335 K progress 24.5 246 R -810336.16 -812736.76 -197599.40 200000.00 T= 7412.22 K progress 24.6 247 R -802249.46 -794703.72 -207545.75 200000.00 T= 7353.4 K progress 24.7 248 R -787741.41 -822833.58 -204907.83 240000.00 T= 7176.94 K progress 24.8 249 R -773498.00 -815877.09 -197620.91 240000.00 T= 7147.53 K progress 24.9 250 R -772337.08 -814670.28 -197666.80 240000.00 T= 7118.12 K progress 25.0 251 R -769115.70 -812323.86 -196791.84 240000.00 T= 7088.71 K progress 25.1 252 R -776375.22 -819025.22 -197350.00 240000.00 T= 7074.005 K progress 25.2 253 R -793270.14 -836726.08 -196544.06 240000.00 T= 7059.3 K progress 25.3 254 R -791250.11 -834827.41 -196422.70 240000.00 T= 7000.48 K progress 25.4 255 R -779188.55 -818321.86 -200866.69 240000.00 T= 6971.07 K progress 25.5 256 R -804532.75 -807386.13 -197146.62 200000.00 T= 6956.365 K progress 25.6 257 R -797542.56 -834267.08 -203275.48 240000.00 T= 6897.545 K progress 25.7 258 R -801606.57 -787576.76 -214029.81 200000.00 T= 6868.135 K progress 25.8 259 R -797244.50 -796973.63 -200270.88 200000.00 T= 6838.725 K progress 25.9 260 R -794918.57 -784376.70 -210541.87 200000.00 T= 6824.02 K progress 26.0 261 R -796127.98 -794840.92 -201287.07 200000.00 T= 6779.905 K progress 26.1 262 R -767091.35 -809692.38 -197398.96 240000.00 T= 6750.495 K progress 26.2 263 R -764541.88 -809304.90 -195236.98 240000.00 T= 6735.79 K progress 26.3 264 R -821187.83 -817693.07 -203494.75 200000.00 T= 6574.035 K progress 26.4 265 R -794469.85 -783339.18 -211130.67 200000.00 T= 6456.395 K progress 26.5 266 R -791538.64 -826456.65 -205081.99 240000.00 T= 6412.28 K progress 26.6 267 R -781088.68 -818160.89 -202927.79 240000.00 T= 6382.87 K progress 26.7 268 T -738517.85 -777573.99 -200943.85 240000.00 T= 6368.165 K progress 26.8 269 R -726423.05 -769410.91 -197012.15 240000.00 T= 6338.755 K progress 26.9 270 R -715829.68 -761130.30 -194699.39 240000.00 T= 6279.935 K progress 27.0 271 T -730009.20 -872290.68 -217718.51 360000.00 T= 6250.525 K progress 27.1 272 R -724491.35 -866465.95 -218025.40 360000.00 T= 6206.41 K progress 27.2 273 T -849577.43 -894197.79 -235379.64 280000.00 T= 6191.705 K progress 27.3 274 R -815126.06 -862471.21 -232654.85 280000.00 T= 6132.885 K progress 27.4 275 T -859525.81 -926080.02 -253445.79 320000.00 T= 6088.77 K progress 27.5 276 R -806282.59 -918004.20 -248278.39 360000.00 T= 5956.425 K progress 27.6 277 T -780359.81 -855268.12 -245091.69 320000.00 T= 5897.605 K progress 27.7 278 R -765151.55 -961242.63 -243908.92 440000.00 T= 5868.195 K progress 27.8 279 T -789331.78 -955285.04 -274046.74 440000.00 T= 5853.49 K progress 27.9 280 T -885720.07 -926529.08 -239190.99 280000.00 T= 5824.08 K progress 28.0 281 R -877178.24 -917237.09 -239941.15 280000.00 T= 5794.67 K progress 28.1 282 R -949274.82 -934944.15 -254330.67 240000.00 T= 5691.735 K progress 28.2 283 R -950430.10 -937354.12 -253075.98 240000.00 T= 5632.915 K progress 28.3 284 R -879769.46 -921486.27 -238283.19 280000.00 T= 5603.505 K progress 28.4 285 R -888811.47 -923409.39 -245402.08 280000.00 T= 5574.095 K progress 28.5 286 R -892693.28 -930456.78 -242236.50 280000.00 T= 5412.34 K progress 28.6 287 R -895629.19 -926918.31 -248710.88 280000.00 T= 5338.815 K progress 28.7 288 R -897646.49 -928021.79 -249624.70 280000.00 T= 5309.405 K progress 28.8 289 R -902547.94 -934405.39 -248142.55 280000.00 T= 5088.83 K progress 28.9 290 R -847685.05 -931475.15 -236209.90 320000.00 T= 5074.125 K progress 29.0 291 R -844111.37 -928535.76 -235575.61 320000.00 T= 5059.42 K progress 29.1 292 R -805081.43 -888386.58 -236694.86 320000.00 T= 4927.075 K progress 29.2 293 R -810488.09 -892454.70 -238033.39 320000.00 T= 4912.37 K progress 29.3 294 R -793363.52 -880565.81 -232797.71 320000.00 T= 4897.665 K progress 29.4 295 R -881007.95 -917222.87 -243785.07 280000.00 T= 4882.96 K progress 29.5 296 R -886287.51 -923735.25 -242552.25 280000.00 T= 4853.55 K progress 29.6 297 R -846834.10 -916575.32 -250258.78 320000.00 T= 4838.845 K progress 29.7 298 R -872206.01 -909348.99 -242857.03 280000.00 T= 4824.14 K progress 29.8 299 R -868634.47 -903039.25 -245595.23 280000.00 T= 4780.025 K progress 29.9 300 T -917942.95 -917779.51 -240163.44 240000.00 T= 4691.795 K progress 30.0 301 R -893535.61 -887285.11 -246250.50 240000.00 T= 4618.27 K progress 30.1 302 R -885531.64 -880655.55 -244876.09 240000.00 T= 4603.565 K progress 30.2 303 R -899078.04 -878244.98 -220833.06 200000.00 T= 4574.155 K progress 30.3 304 R -889323.91 -875079.83 -214244.08 200000.00 T= 4368.285 K progress 30.4 305 R -881377.82 -870529.02 -210848.81 200000.00 T= 4280.055 K progress 30.5 306 R -881590.50 -864987.53 -216602.97 200000.00 T= 4250.645 K progress 30.6 307 R -912231.79 -889704.17 -222527.62 200000.00 T= 4206.53 K progress 30.7 308 R -900380.73 -877853.10 -222527.62 200000.00 T= 4162.415 K progress 30.8 309 R -883308.42 -866797.50 -216510.92 200000.00 T= 4118.3 K progress 30.9 310 R -883269.32 -864987.53 -218281.79 200000.00 T= 4074.185 K progress 31.0 311 R -855176.48 -826881.74 -228294.74 200000.00 T= 4059.48 K progress 31.1 312 R -857566.32 -829271.58 -228294.74 200000.00 T= 4000.66 K progress 31.2 313 R -866412.91 -836613.75 -229799.17 200000.00 T= 3985.955 K progress 31.3 314 R -866412.91 -836613.75 -229799.17 200000.00 T= 3838.905 K progress 31.4 315 R -874590.97 -864979.06 -209611.92 200000.00 T= 3824.2 K progress 31.5 316 R -908009.54 -886118.42 -221891.12 200000.00 T= 3794.79 K progress 31.6 317 T -824506.98 -872045.18 -232461.80 280000.00 T= 3780.085 K progress 31.7 Traceback (most recent call last): File "/home/rpdock/mc/MC_DNA.py", line 631, in change_atom_list, change_chains, change_chains1, axis, angle = rotation(change_chains) File "/home/rpdock/mc/MC_DNA.py", line 284, in rotation rna_chains1 = deepcopy(rna_chains) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 230, in _deepcopy_list y.append(deepcopy(a, memo)) File "/usr/lib/python2.7/copy.py", line 190, in deepcopy y = _reconstruct(x, rv, 1, memo) File "/usr/lib/python2.7/copy.py", line 334, in _reconstruct state = deepcopy(state, memo) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 257, in _deepcopy_dict y[deepcopy(key, memo)] = deepcopy(value, memo) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 257, in _deepcopy_dict y[deepcopy(key, memo)] = deepcopy(value, memo) File "/usr/lib/python2.7/copy.py", line 190, in deepcopy y = _reconstruct(x, rv, 1, memo) File "/usr/lib/python2.7/copy.py", line 334, in _reconstruct state = deepcopy(state, memo) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 257, in _deepcopy_dict y[deepcopy(key, memo)] = deepcopy(value, memo) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 257, in _deepcopy_dict y[deepcopy(key, memo)] = deepcopy(value, memo) File "/usr/lib/python2.7/copy.py", line 182, in deepcopy rv = reductor(2) MemoryError Error in run_mc Segmentation fault (core dumped) Wed Apr 29 16:48:11 2026 ['na-prot_9950.pdb'] msg Refinement of #1 /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/na-prot_9950.pdb dir: /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/ file: na-prot_9950.pdb find `pwd` -iname na-prot_9950.pdb copy /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2/prot-na_10/na-prot_9950.pdb to /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2//ref_struc/na-prot_9950/na-prot_9950.pdb cmd: python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2//ref_struc/na-prot_9950/na-prot_9950.pdb msg python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2//ref_struc/na-prot_9950/na-prot_9950.pdb msg run_mc::stderr:Segmentation fault (core dumped) 2026-04-29 16:53:14 npdock::MC (refinement) end 2026-04-29 16:53:14 npdock::OK 2026-04-29 16:53:14 Set finished status of 86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2