2026-04-30 10:18:04 NPdock start 2026-04-30 10:18:04 ver: server 2026-04-30 10:18:04 mode: 11111 2026-04-30 10:18:04 is RNA? 0 2026-04-30 10:18:04 Interface: prot: '' na: '' 2026-04-30 10:18:04 Curr dir:/home/rpdock/web/media/jobs/2fb38514-2b4e-489f-93ca-21c7102b143b/ 2026-04-30 10:18:04 GRAMM in progress... 2026-04-30 10:18:04 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb -pi '' -ri '' -n 1 -pf '*' -rf '*' 2026-04-30 10:53:48 GRAMM done 2026-04-30 10:53:48 DNP scoring in progress... 2026-04-30 10:53:48 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt 2026-04-30 10:53:48 QDV-DNP starts 2026-04-30 10:53:48 Show log every 100 structures 2026-04-30 10:53:48 QUASI-DNP starts 2026-04-30 10:53:48 na-prot_1000.pdb -494937.743904 2026-04-30 10:54:07 na-prot_94.pdb -1062601.04959 2026-04-30 10:54:25 na-prot_194.pdb -772279.637826 2026-04-30 10:54:44 na-prot_294.pdb -382104.440588 2026-04-30 10:55:02 na-prot_394.pdb -591376.748234 2026-04-30 10:55:21 na-prot_494.pdb -456457.800009 2026-04-30 10:55:40 na-prot_594.pdb -465214.592422 2026-04-30 10:55:59 na-prot_694.pdb -798628.333972 2026-04-30 10:56:19 na-prot_794.pdb -471732.388992 2026-04-30 10:56:38 na-prot_894.pdb -536292.668184 2026-04-30 10:56:57 na-prot_994.pdb -704524.745281 2026-04-30 10:57:17 na-prot_1100.pdb -714668.934936 2026-04-30 10:57:37 na-prot_1200.pdb -491021.298413 2026-04-30 10:57:56 na-prot_1300.pdb -962114.318326 2026-04-30 10:58:15 na-prot_1400.pdb -656783.016527 2026-04-30 10:58:35 na-prot_1500.pdb -484353.339005 2026-04-30 10:58:55 na-prot_1600.pdb -1167103.63703 2026-04-30 10:59:15 na-prot_1700.pdb -577853.333467 2026-04-30 10:59:34 na-prot_1800.pdb -577354.912857 2026-04-30 10:59:54 na-prot_1900.pdb -1135265.03578 2026-04-30 11:00:14 na-prot_2000.pdb -454242.318829 2026-04-30 11:00:33 na-prot_2100.pdb -973402.003322 2026-04-30 11:00:53 na-prot_2200.pdb -363504.44199 2026-04-30 11:01:13 na-prot_2300.pdb -639197.009564 2026-04-30 11:01:32 na-prot_2400.pdb -552584.161292 2026-04-30 11:01:51 na-prot_2500.pdb -516151.44335 2026-04-30 11:02:11 na-prot_2600.pdb -551118.606245 2026-04-30 11:02:31 na-prot_2700.pdb -439610.415414 2026-04-30 11:02:52 na-prot_2800.pdb -463516.10877 2026-04-30 11:03:11 na-prot_2900.pdb -498546.346356 2026-04-30 11:03:31 na-prot_3000.pdb -418465.052285 2026-04-30 11:03:51 na-prot_3100.pdb -445688.817824 2026-04-30 11:04:11 na-prot_3200.pdb -383892.131279 2026-04-30 11:04:30 na-prot_3300.pdb -668555.116917 2026-04-30 11:04:50 na-prot_3400.pdb -292070.967789 2026-04-30 11:05:09 na-prot_3500.pdb -613305.911365 2026-04-30 11:05:29 na-prot_3600.pdb -842567.115121 2026-04-30 11:05:48 na-prot_3700.pdb -866617.264536 2026-04-30 11:06:08 na-prot_3800.pdb -325012.739605 2026-04-30 11:06:27 na-prot_3900.pdb -507411.123575 2026-04-30 11:06:47 na-prot_4000.pdb -713701.156797 2026-04-30 11:07:06 na-prot_4100.pdb -383457.845051 2026-04-30 11:07:27 na-prot_4200.pdb -459149.883963 2026-04-30 11:07:49 na-prot_4300.pdb -787861.292905 2026-04-30 11:08:11 na-prot_4400.pdb -542022.864075 2026-04-30 11:08:30 na-prot_4500.pdb -573392.291194 2026-04-30 11:08:50 na-prot_4600.pdb -346438.257793 2026-04-30 11:09:10 na-prot_4700.pdb -366716.624302 2026-04-30 11:09:30 na-prot_4800.pdb -530622.749007 2026-04-30 11:09:49 na-prot_4900.pdb -446817.020363 2026-04-30 11:10:09 na-prot_5000.pdb -886477.543595 2026-04-30 11:10:29 na-prot_5100.pdb -1116641.46309 2026-04-30 11:10:48 na-prot_5200.pdb -637792.137723 2026-04-30 11:11:08 na-prot_5300.pdb -397103.853308 2026-04-30 11:11:28 na-prot_5400.pdb -720230.036203 2026-04-30 11:11:48 na-prot_5500.pdb -455857.150333 2026-04-30 11:12:07 na-prot_5600.pdb -662375.800313 2026-04-30 11:12:27 na-prot_5700.pdb -714159.833898 2026-04-30 11:12:47 na-prot_5800.pdb -670911.487412 2026-04-30 11:13:07 na-prot_5900.pdb -428938.664381 2026-04-30 11:13:27 na-prot_6000.pdb -544116.667052 2026-04-30 11:13:47 na-prot_6100.pdb -641591.508671 2026-04-30 11:14:07 na-prot_6200.pdb -671226.057546 2026-04-30 11:14:27 na-prot_6300.pdb -893220.139007 2026-04-30 11:14:46 na-prot_6400.pdb -558023.785432 2026-04-30 11:15:06 na-prot_6500.pdb -634379.17436 2026-04-30 11:15:26 na-prot_6600.pdb -471487.352597 2026-04-30 11:15:46 na-prot_6700.pdb -458879.884684 2026-04-30 11:16:06 na-prot_6800.pdb -655232.971965 2026-04-30 11:16:26 na-prot_6900.pdb -510148.454503 2026-04-30 11:16:45 na-prot_7000.pdb -394583.051183 2026-04-30 11:17:05 na-prot_7100.pdb -244900.940252 2026-04-30 11:17:25 na-prot_7200.pdb -349736.078354 2026-04-30 11:17:45 na-prot_7300.pdb -391158.807401 2026-04-30 11:18:05 na-prot_7400.pdb -635650.530667 2026-04-30 11:18:24 na-prot_7500.pdb -632679.139228 2026-04-30 11:18:44 na-prot_7600.pdb -429938.05168 2026-04-30 11:19:04 na-prot_7700.pdb -349589.678555 2026-04-30 11:19:23 na-prot_7800.pdb -919830.255111 2026-04-30 11:19:43 na-prot_7900.pdb -735826.048018 2026-04-30 11:20:03 na-prot_8000.pdb -299936.435967 2026-04-30 11:20:23 na-prot_8100.pdb -251299.712696 2026-04-30 11:20:42 na-prot_8200.pdb -498937.823466 2026-04-30 11:21:02 na-prot_8300.pdb -791683.945366 2026-04-30 11:21:22 na-prot_8400.pdb -645499.256663 2026-04-30 11:21:41 na-prot_8500.pdb -750669.734648 2026-04-30 11:22:01 na-prot_8600.pdb -878683.945117 2026-04-30 11:22:21 na-prot_8700.pdb -518896.596623 2026-04-30 11:22:41 na-prot_8800.pdb -861220.317666 2026-04-30 11:23:00 na-prot_8900.pdb -436679.44774 2026-04-30 11:23:20 na-prot_9000.pdb -532863.594454 2026-04-30 11:23:39 na-prot_9100.pdb -364650.631064 2026-04-30 11:23:59 na-prot_9200.pdb -425014.555353 2026-04-30 11:24:19 na-prot_9300.pdb -293016.785938 2026-04-30 11:24:39 na-prot_9400.pdb -395702.377312 2026-04-30 11:24:58 na-prot_9500.pdb -662348.878009 2026-04-30 11:25:18 na-prot_9600.pdb -753338.855773 2026-04-30 11:25:37 na-prot_9700.pdb -417449.503977 2026-04-30 11:25:57 na-prot_9800.pdb -216633.500322 2026-04-30 11:26:17 na-prot_9900.pdb -442455.766344 2026-04-30 11:26:36 na-prot_10000.pdb -774277.304252 2026-04-30 11:26:56 na-prot_10100.pdb -615112.681517 2026-04-30 11:27:16 na-prot_10200.pdb -474871.829732 2026-04-30 11:27:36 na-prot_10300.pdb -493924.193532 2026-04-30 11:27:56 na-prot_10400.pdb -362141.979138 2026-04-30 11:28:15 na-prot_10500.pdb -475284.344177 2026-04-30 11:28:35 na-prot_10600.pdb -265103.945716 2026-04-30 11:28:54 na-prot_10700.pdb -682522.64744 2026-04-30 11:29:14 na-prot_10800.pdb -817386.049851 2026-04-30 11:29:34 na-prot_10900.pdb -791187.598036 2026-04-30 11:29:53 na-prot_11000.pdb -345888.11812 2026-04-30 11:30:13 na-prot_11100.pdb -585769.545416 2026-04-30 11:30:33 na-prot_11200.pdb -400305.783578 2026-04-30 11:30:53 na-prot_11300.pdb -378435.414408 2026-04-30 11:31:13 na-prot_11400.pdb -621471.74362 2026-04-30 11:31:32 na-prot_11500.pdb -499931.513409 2026-04-30 11:31:52 na-prot_11600.pdb -574874.49502 2026-04-30 11:32:12 na-prot_11700.pdb -441028.490053 2026-04-30 11:32:31 na-prot_11800.pdb -411535.936337 2026-04-30 11:32:51 na-prot_11900.pdb -295731.251601 2026-04-30 11:33:11 na-prot_12000.pdb -602179.590464 2026-04-30 11:33:31 na-prot_12100.pdb -401796.035286 2026-04-30 11:33:51 na-prot_12200.pdb -473065.073959 2026-04-30 11:34:11 na-prot_12300.pdb -576016.515413 2026-04-30 11:34:30 na-prot_12400.pdb -215288.272214 2026-04-30 11:34:50 na-prot_12500.pdb -740803.981318 2026-04-30 11:35:10 na-prot_12600.pdb -433575.283533 2026-04-30 11:35:30 na-prot_12700.pdb -524628.524816 2026-04-30 11:35:49 na-prot_12800.pdb -407370.671445 2026-04-30 11:36:12 na-prot_12900.pdb -622626.448121 2026-04-30 11:36:33 na-prot_13000.pdb -401046.893969 2026-04-30 11:36:52 na-prot_13100.pdb -409417.149079 2026-04-30 11:37:12 na-prot_13200.pdb -763725.389662 2026-04-30 11:37:32 na-prot_13300.pdb -487371.708851 2026-04-30 11:37:52 na-prot_13400.pdb -412745.008479 2026-04-30 11:38:12 na-prot_13500.pdb -533382.546135 2026-04-30 11:38:31 na-prot_13600.pdb -877293.297106 2026-04-30 11:38:51 na-prot_13700.pdb -488367.672731 2026-04-30 11:39:11 na-prot_13800.pdb -361451.952462 2026-04-30 11:39:30 na-prot_13900.pdb -277422.107566 2026-04-30 11:39:50 na-prot_14000.pdb -292354.658607 2026-04-30 11:40:10 na-prot_14100.pdb -623541.159454 2026-04-30 11:40:30 na-prot_14200.pdb -592482.8509 2026-04-30 11:40:49 na-prot_14300.pdb -616809.997927 2026-04-30 11:41:09 na-prot_14400.pdb -536108.674151 2026-04-30 11:41:29 na-prot_14500.pdb -329963.439879 2026-04-30 11:41:49 na-prot_14600.pdb -381779.354718 2026-04-30 11:42:08 na-prot_14700.pdb -145390.785558 2026-04-30 11:42:28 na-prot_14800.pdb -619616.380857 2026-04-30 11:42:48 na-prot_14900.pdb -550453.448385 2026-04-30 11:43:08 na-prot_15000.pdb -677976.380679 2026-04-30 11:43:28 na-prot_15100.pdb -783050.489414 2026-04-30 11:43:48 na-prot_15200.pdb -1000420.91266 2026-04-30 11:44:08 na-prot_15300.pdb -585757.168176 2026-04-30 11:44:28 na-prot_15400.pdb -329716.671468 2026-04-30 11:44:48 na-prot_15500.pdb -761632.349245 2026-04-30 11:45:08 na-prot_15600.pdb -268119.196614 2026-04-30 11:45:28 na-prot_15700.pdb -440557.745563 2026-04-30 11:45:48 na-prot_15800.pdb -297490.33151 2026-04-30 11:46:07 na-prot_15900.pdb -433502.506382 2026-04-30 11:46:27 na-prot_16000.pdb -482391.810996 2026-04-30 11:46:47 na-prot_16100.pdb -360639.631247 2026-04-30 11:47:07 na-prot_16200.pdb -314370.038604 2026-04-30 11:47:26 na-prot_16300.pdb -599813.933049 2026-04-30 11:47:47 na-prot_16400.pdb -988428.695633 2026-04-30 11:48:07 na-prot_16500.pdb -548836.762773 2026-04-30 11:48:26 na-prot_16600.pdb -800209.447221 2026-04-30 11:48:46 na-prot_16700.pdb -466789.125322 2026-04-30 11:49:06 na-prot_16800.pdb -380900.338724 2026-04-30 11:49:25 na-prot_16900.pdb -649880.878933 2026-04-30 11:49:45 na-prot_17000.pdb -700006.410099 2026-04-30 11:50:05 na-prot_17100.pdb -383917.785582 2026-04-30 11:50:25 na-prot_17200.pdb -390148.897351 2026-04-30 11:50:45 na-prot_17300.pdb -356667.57524 2026-04-30 11:51:05 na-prot_17400.pdb -358425.057702 2026-04-30 11:51:25 na-prot_17500.pdb -432826.097353 2026-04-30 11:51:44 na-prot_17600.pdb -557200.111707 2026-04-30 11:52:04 na-prot_17700.pdb -477314.09853 2026-04-30 11:52:24 na-prot_17800.pdb -286134.434307 2026-04-30 11:52:44 na-prot_17900.pdb -147139.381125 2026-04-30 11:53:04 na-prot_18000.pdb -395265.762131 2026-04-30 11:53:23 na-prot_18100.pdb -717799.923241 2026-04-30 11:53:43 na-prot_18200.pdb -764995.129455 2026-04-30 11:54:03 na-prot_18300.pdb -438883.192022 2026-04-30 11:54:23 na-prot_18400.pdb -288709.523296 2026-04-30 11:54:43 na-prot_18500.pdb -663958.414404 2026-04-30 11:55:02 na-prot_18600.pdb -230037.133053 2026-04-30 11:55:22 na-prot_18700.pdb -411970.679932 2026-04-30 11:55:42 na-prot_18800.pdb -589701.305275 2026-04-30 11:56:02 na-prot_18900.pdb -363396.118231 2026-04-30 11:56:21 na-prot_19000.pdb -772902.406298 2026-04-30 11:56:41 na-prot_19100.pdb -666913.656355 2026-04-30 11:57:01 na-prot_19200.pdb -648627.069152 2026-04-30 11:57:20 na-prot_19300.pdb -350376.652715 2026-04-30 11:57:40 na-prot_19400.pdb -521001.927504 2026-04-30 11:58:01 na-prot_19500.pdb -624721.591669 2026-04-30 11:58:21 na-prot_19600.pdb -506996.281721 2026-04-30 11:58:41 na-prot_19700.pdb -607308.603752 2026-04-30 11:59:01 na-prot_19800.pdb -1121382.07744 2026-04-30 11:59:21 na-prot_19900.pdb -342025.018857 2026-04-30 11:59:40 na-prot_20000.pdb -276112.563903 2026-04-30 11:59:40 Varani starts 2026-04-30 11:59:40 na-prot_1000.pdb 164.694 2026-04-30 12:00:02 [..]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 msg na-prot_20000.pdb -276112.563903 - - - - - - - - - - - - - - - - - - - - Varani potenitial is now running ... msg Varani starts msg na-prot_1000.pdb 164.694 Traceback (most recent call last): File "/home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py", line 537, in subprocess.call(["cp",plikV,plikV+"_var"]) File "/usr/lib/python2.7/subprocess.py", line 523, in call return Popen(*popenargs, **kwargs).wait() File "/usr/lib/python2.7/subprocess.py", line 711, in __init__ errread, errwrite) File "/usr/lib/python2.7/subprocess.py", line 1235, in _execute_child self.pid = os.fork() OSError: [Errno 12] Cannot allocate memory Command exited with non-zero status 1 3922.09user 13.16system 1:06:13elapsed 99%CPU (0avgtext+0avgdata 221132maxresident)k 5713552inputs+39424outputs (21major+3556956minor)pagefaults 0swaps