2026-05-25 15:48:02 NPdock start
2026-05-25 15:48:02 ver: server
2026-05-25 15:48:02 mode: 11111
2026-05-25 15:48:02 is RNA? 0
2026-05-25 15:48:02 Interface: prot: '' na: ''
2026-05-25 15:48:02 Curr dir:/home/rpdock/web/media/jobs/3d2bb143-3bc2-4ebe-a9dc-5e4881dfbdf4/
2026-05-25 15:48:02 GRAMM in progress...
2026-05-25 15:48:02 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb  -pi '' -ri '' -n 1 -pf '*' -rf '*'
2026-05-25 17:07:59 GRAMM done
2026-05-25 17:07:59 DNP scoring in progress...
2026-05-25 17:07:59 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt
2026-05-25 17:07:59 QDV-DNP starts
2026-05-25 17:07:59 Show log every 100 structures
2026-05-25 17:07:59 QUASI-DNP starts
2026-05-25 17:08:00 prot-na_1000.pdb -519072.264386
2026-05-25 17:08:15 prot-na_94.pdb -613488.385133
2026-05-25 17:08:30 prot-na_194.pdb -551498.853545
2026-05-25 17:08:44 prot-na_294.pdb -609864.121084
2026-05-25 17:08:59 prot-na_394.pdb -653436.337263
2026-05-25 17:09:14 prot-na_494.pdb -663746.241962
2026-05-25 17:09:29 prot-na_594.pdb -793254.139399
2026-05-25 17:09:44 prot-na_694.pdb -621637.477824
2026-05-25 17:10:00 prot-na_794.pdb -845351.942409
2026-05-25 17:10:15 prot-na_894.pdb -774198.597684
2026-05-25 17:10:30 prot-na_994.pdb -742032.438611
2026-05-25 17:10:46 prot-na_1100.pdb -581375.606694
2026-05-25 17:11:01 prot-na_1200.pdb -743151.667923
2026-05-25 17:11:16 prot-na_1300.pdb -541495.726778
2026-05-25 17:11:32 prot-na_1400.pdb -614202.153555
2026-05-25 17:11:47 prot-na_1500.pdb -587698.475187
2026-05-25 17:12:02 prot-na_1600.pdb -642739.516955
2026-05-25 17:12:18 prot-na_1700.pdb -711722.300988
2026-05-25 17:12:34 prot-na_1800.pdb -570961.813006
2026-05-25 17:12:49 prot-na_1900.pdb -434420.049586
2026-05-25 17:13:05 prot-na_2000.pdb -489551.636928
2026-05-25 17:13:21 prot-na_2100.pdb -799003.30989
2026-05-25 17:13:36 prot-na_2200.pdb -529237.225
2026-05-25 17:13:52 prot-na_2300.pdb -475771.739685
2026-05-25 17:14:08 prot-na_2400.pdb -632642.778723
2026-05-25 17:14:23 prot-na_2500.pdb -444314.178861
2026-05-25 17:14:39 prot-na_2600.pdb -733050.382596
2026-05-25 17:14:55 prot-na_2700.pdb -624292.968046
2026-05-25 17:15:11 prot-na_2800.pdb -570351.202889
2026-05-25 17:15:26 prot-na_2900.pdb -674588.461712
2026-05-25 17:15:42 prot-na_3000.pdb -539400.034877
2026-05-25 17:15:58 prot-na_3100.pdb -657712.718424
2026-05-25 17:16:14 prot-na_3200.pdb -580991.861751
2026-05-25 17:16:30 prot-na_3300.pdb -589392.681897
2026-05-25 17:16:46 prot-na_3400.pdb -579394.223718
2026-05-25 17:17:01 prot-na_3500.pdb -551583.74666
2026-05-25 17:17:17 prot-na_3600.pdb -708710.032032
2026-05-25 17:17:33 prot-na_3700.pdb -545841.549595
2026-05-25 17:17:49 prot-na_3800.pdb -461713.447521
2026-05-25 17:18:04 prot-na_3900.pdb -377300.114999
2026-05-25 17:18:20 prot-na_4000.pdb -687771.339407
2026-05-25 17:18:36 prot-na_4100.pdb -549039.080324
2026-05-25 17:18:52 prot-na_4200.pdb -610181.93978
2026-05-25 17:19:08 prot-na_4300.pdb -674043.037118
2026-05-25 17:19:23 prot-na_4400.pdb -807512.902971
2026-05-25 17:19:39 prot-na_4500.pdb -778459.977453
2026-05-25 17:19:55 prot-na_4600.pdb -602925.17131
2026-05-25 17:20:11 prot-na_4700.pdb -783054.183753
2026-05-25 17:20:26 prot-na_4800.pdb -559927.983402
2026-05-25 17:20:42 prot-na_4900.pdb -617916.674893
2026-05-25 17:20:57 prot-na_5000.pdb -821858.000031
2026-05-25 17:21:12 prot-na_5100.pdb -611886.718216
2026-05-25 17:21:28 prot-na_5200.pdb -460480.755404
2026-05-25 17:21:44 prot-na_5300.pdb -782022.012609
2026-05-25 17:21:59 prot-na_5400.pdb -604936.916946
2026-05-25 17:22:15 prot-na_5500.pdb -681177.139924
2026-05-25 17:22:31 prot-na_5600.pdb -444054.832376
2026-05-25 17:22:47 prot-na_5700.pdb -489775.94775
2026-05-25 17:23:03 prot-na_5800.pdb -634137.404379
2026-05-25 17:23:19 prot-na_5900.pdb -611851.126966
2026-05-25 17:23:35 prot-na_6000.pdb -726837.694758
2026-05-25 17:23:50 prot-na_6100.pdb -579009.870763
2026-05-25 17:24:07 prot-na_6200.pdb -661129.568483
2026-05-25 17:24:24 prot-na_6300.pdb -621646.638428
2026-05-25 17:24:40 prot-na_6400.pdb -349910.265548
2026-05-25 17:24:57 prot-na_6500.pdb -806089.652052
2026-05-25 17:25:15 prot-na_6600.pdb -342326.943978
2026-05-25 17:25:33 prot-na_6700.pdb -395784.179077
2026-05-25 17:25:49 prot-na_6800.pdb -678323.525089
2026-05-25 17:26:05 prot-na_6900.pdb -759954.207181
2026-05-25 17:26:21 prot-na_7000.pdb -698745.053319
2026-05-25 17:26:37 prot-na_7100.pdb -453704.915477
2026-05-25 17:26:52 prot-na_7200.pdb -491781.643829
2026-05-25 17:27:08 prot-na_7300.pdb -648770.295748
2026-05-25 17:27:26 prot-na_7400.pdb -631328.665223
2026-05-25 17:27:43 prot-na_7500.pdb -424052.228007
2026-05-25 17:27:59 prot-na_7600.pdb -562515.970271
2026-05-25 17:28:15 prot-na_7700.pdb -601853.311428
2026-05-25 17:28:31 prot-na_7800.pdb -486552.170939
2026-05-25 17:28:47 prot-na_7900.pdb -574861.18274
2026-05-25 17:29:03 prot-na_8000.pdb -582955.71656
2026-05-25 17:29:19 prot-na_8100.pdb -472954.637055
2026-05-25 17:29:34 prot-na_8200.pdb -540864.985332
2026-05-25 17:29:50 prot-na_8300.pdb -454605.633847
2026-05-25 17:30:05 prot-na_8400.pdb -449704.814214
2026-05-25 17:30:21 prot-na_8500.pdb -578676.411003
2026-05-25 17:30:36 prot-na_8600.pdb -460587.89928
2026-05-25 17:30:52 prot-na_8700.pdb -522451.029782
2026-05-25 17:31:08 prot-na_8800.pdb -518288.229661
2026-05-25 17:31:24 prot-na_8900.pdb -536087.85025
2026-05-25 17:31:39 prot-na_9000.pdb -635869.120795
2026-05-25 17:31:55 prot-na_9100.pdb -844255.220868
2026-05-25 17:32:10 prot-na_9200.pdb -652768.785205
2026-05-25 17:32:26 prot-na_9300.pdb -361178.434401
2026-05-25 17:32:42 prot-na_9400.pdb -703615.937955
2026-05-25 17:32:57 prot-na_9500.pdb -526942.011172
2026-05-25 17:33:13 prot-na_9600.pdb -513202.110827
2026-05-25 17:33:28 prot-na_9700.pdb -696380.210308
2026-05-25 17:33:44 prot-na_9800.pdb -617811.276029
2026-05-25 17:33:59 prot-na_9900.pdb -555125.400323
2026-05-25 17:34:15 prot-na_10000.pdb -444327.280602
2026-05-25 17:34:31 prot-na_10100.pdb -549724.206523
2026-05-25 17:34:46 prot-na_10200.pdb -847513.14065
2026-05-25 17:35:02 prot-na_10300.pdb -577535.863056
2026-05-25 17:35:18 prot-na_10400.pdb -583978.170437
2026-05-25 17:35:33 prot-na_10500.pdb -779471.489767
2026-05-25 17:35:49 prot-na_10600.pdb -607429.507341
2026-05-25 17:36:05 prot-na_10700.pdb -467986.381565
2026-05-25 17:36:20 prot-na_10800.pdb -698143.973648
2026-05-25 17:36:36 prot-na_10900.pdb -497336.331418
2026-05-25 17:36:51 prot-na_11000.pdb -448757.272821
2026-05-25 17:37:07 prot-na_11100.pdb -775741.810333
2026-05-25 17:37:23 prot-na_11200.pdb -457619.127699
2026-05-25 17:37:38 prot-na_11300.pdb -355937.720826
2026-05-25 17:37:54 prot-na_11400.pdb -501537.361689
2026-05-25 17:38:09 prot-na_11500.pdb -336662.376832
2026-05-25 17:38:25 prot-na_11600.pdb -340671.798315
2026-05-25 17:38:41 prot-na_11700.pdb -533936.744149
2026-05-25 17:38:57 prot-na_11800.pdb -421310.041673
2026-05-25 17:39:12 prot-na_11900.pdb -585988.334489
2026-05-25 17:39:28 prot-na_12000.pdb -511547.189144
2026-05-25 17:39:43 prot-na_12100.pdb -429159.324819
2026-05-25 17:39:59 prot-na_12200.pdb -648742.161068
2026-05-25 17:40:14 prot-na_12300.pdb -390964.491509
2026-05-25 17:40:30 prot-na_12400.pdb -455808.005646
2026-05-25 17:40:46 prot-na_12500.pdb -372729.697363
2026-05-25 17:41:01 prot-na_12600.pdb -476622.149171
2026-05-25 17:41:17 prot-na_12700.pdb -854748.287213
2026-05-25 17:41:33 prot-na_12800.pdb -397161.985682
2026-05-25 17:41:48 prot-na_12900.pdb -407011.011293
2026-05-25 17:42:04 prot-na_13000.pdb -447175.800555
2026-05-25 17:42:20 prot-na_13100.pdb -513022.130751
2026-05-25 17:42:35 prot-na_13200.pdb -374794.042195
2026-05-25 17:42:51 prot-na_13300.pdb -436186.599469
2026-05-25 17:43:06 prot-na_13400.pdb -426191.182267
2026-05-25 17:43:22 prot-na_13500.pdb -523133.683444
2026-05-25 17:43:38 prot-na_13600.pdb -601566.000917
2026-05-25 17:43:55 prot-na_13700.pdb -542833.714844
2026-05-25 17:44:12 prot-na_13800.pdb -576978.092957
2026-05-25 17:44:30 prot-na_13900.pdb -542933.878493
2026-05-25 17:44:47 prot-na_14000.pdb -527948.163493
2026-05-25 17:45:04 prot-na_14100.pdb -382752.649324
2026-05-25 17:45:21 prot-na_14200.pdb -480082.274831
2026-05-25 17:45:38 prot-na_14300.pdb -537301.783934
2026-05-25 17:45:55 prot-na_14400.pdb -534107.264604
2026-05-25 17:46:13 prot-na_14500.pdb -586333.332697
2026-05-25 17:46:30 prot-na_14600.pdb -512174.348464
2026-05-25 17:46:47 prot-na_14700.pdb -566451.538136
2026-05-25 17:47:05 prot-na_14800.pdb -744301.111542
2026-05-25 17:47:22 prot-na_14900.pdb -454307.680567
2026-05-25 17:47:39 prot-na_15000.pdb -486205.773088
2026-05-25 17:47:56 prot-na_15100.pdb -732944.379061
2026-05-25 17:48:14 prot-na_15200.pdb -468866.534942
2026-05-25 17:48:31 prot-na_15300.pdb -531970.663879
2026-05-25 17:48:48 prot-na_15400.pdb -585323.447763
2026-05-25 17:49:06 prot-na_15500.pdb -392721.652223
2026-05-25 17:49:23 prot-na_15600.pdb -577965.617482
2026-05-25 17:49:40 prot-na_15700.pdb -393447.598741
2026-05-25 17:49:57 prot-na_15800.pdb -410333.546708
2026-05-25 17:50:15 prot-na_15900.pdb -439496.497185
2026-05-25 17:50:32 prot-na_16000.pdb -639450.020137
2026-05-25 17:50:49 prot-na_16100.pdb -508151.444635
2026-05-25 17:51:07 prot-na_16200.pdb -810221.259323
2026-05-25 17:51:24 prot-na_16300.pdb -709489.903653
2026-05-25 17:51:41 prot-na_16400.pdb -452824.080121
2026-05-25 17:51:58 prot-na_16500.pdb -512655.11207
2026-05-25 17:52:16 prot-na_16600.pdb -684133.227218
2026-05-25 17:52:33 prot-na_16700.pdb -678452.146629
2026-05-25 17:52:50 prot-na_16800.pdb -629056.913861
2026-05-25 17:53:07 prot-na_16900.pdb -604031.27875
2026-05-25 17:53:25 prot-na_17000.pdb -529988.443542
2026-05-25 17:53:42 prot-na_17100.pdb -466765.019164
2026-05-25 17:53:59 prot-na_17200.pdb -481313.222255
2026-05-25 17:54:17 prot-na_17300.pdb -599327.577987
2026-05-25 17:54:34 prot-na_17400.pdb -547860.991238
2026-05-25 17:54:51 prot-na_17500.pdb -702730.941562
2026-05-25 17:55:08 prot-na_17600.pdb -524910.598692
2026-05-25 17:55:26 prot-na_17700.pdb -685041.209276
2026-05-25 17:55:43 prot-na_17800.pdb -465783.598334
2026-05-25 17:56:00 prot-na_17900.pdb -453561.638964
2026-05-25 17:56:17 prot-na_18000.pdb -304996.051021
2026-05-25 17:56:34 prot-na_18100.pdb -532922.623473
2026-05-25 17:56:51 prot-na_18200.pdb -457390.229807
2026-05-25 17:57:08 prot-na_18300.pdb -403482.45866
2026-05-25 17:57:25 prot-na_18400.pdb -356036.479054
2026-05-25 17:57:43 prot-na_18500.pdb -437530.458037
2026-05-25 17:58:00 prot-na_18600.pdb -473707.151393
2026-05-25 17:58:17 prot-na_18700.pdb -557967.690139
2026-05-25 17:58:34 prot-na_18800.pdb -439207.29039
2026-05-25 17:58:51 prot-na_18900.pdb -479113.126593
2026-05-25 17:59:09 prot-na_19000.pdb -510690.718272
2026-05-25 17:59:26 prot-na_19100.pdb -455609.672942
2026-05-25 17:59:43 prot-na_19200.pdb -259390.416949
2026-05-25 18:00:00 prot-na_19300.pdb -309222.701282
2026-05-25 18:00:19 prot-na_19400.pdb -349443.930008
2026-05-25 18:00:36 prot-na_19500.pdb -568463.612803
2026-05-25 18:00:53 prot-na_19600.pdb -412515.449989
2026-05-25 18:01:11 prot-na_19700.pdb -440154.01543
2026-05-25 18:01:28 prot-na_19800.pdb -541456.311996
2026-05-25 18:01:45 prot-na_19900.pdb -518809.50067
2026-05-25 18:02:02 prot-na_20000.pdb -463411.999788
2026-05-25 18:02:02 Varani starts
2026-05-25 18:02:02 prot-na_1000.pdb 28.078
2026-05-25 18:02:26 prot-na_94.pdb 94.262
2026-05-25 18:02:49 prot-na_194.pdb 93.77
2026-05-25 18:03:13 prot-na_294.pdb 41.598
2026-05-25 18:03:36 prot-na_394.pdb 263.837
2026-05-25 18:03:59 prot-na_494.pdb 208.588
2026-05-25 18:04:22 prot-na_594.pdb 205.374
2026-05-25 18:04:45 prot-na_694.pdb 229.676
2026-05-25 18:05:08 prot-na_794.pdb 152.507
2026-05-25 18:05:32 prot-na_894.pdb 312.541
2026-05-25 18:05:55 prot-na_994.pdb 243.043
2026-05-25 18:06:19 prot-na_1100.pdb 17.388
2026-05-25 18:06:42 prot-na_1200.pdb 81.811
2026-05-25 18:07:06 prot-na_1300.pdb 67.886
2026-05-25 18:07:28 prot-na_1400.pdb 174.765
2026-05-25 18:07:51 prot-na_1500.pdb 260.867
2026-05-25 18:08:14 prot-na_1600.pdb 230.229
2026-05-25 18:08:37 prot-na_1700.pdb 190.513
2026-05-25 18:08:59 prot-na_1800.pdb 177.172
2026-05-25 18:09:23 prot-na_1900.pdb 123.247
2026-05-25 18:09:47 prot-na_2000.pdb 83.559
2026-05-25 18:10:10 prot-na_2100.pdb 304.877
2026-05-25 18:10:33 prot-na_2200.pdb 110.451
2026-05-25 18:10:55 prot-na_2300.pdb 86.65
2026-05-25 18:11:19 prot-na_2400.pdb 383.309
2026-05-25 18:11:41 prot-na_2500.pdb 86.439
2026-05-25 18:12:05 prot-na_2600.pdb 203.733
2026-05-25 18:12:29 prot-na_2700.pdb 19.093
2026-05-25 18:12:52 prot-na_2800.pdb 102.728
2026-05-25 18:13:15 prot-na_2900.pdb 109.47
2026-05-25 18:13:38 prot-na_3000.pdb 125.101
2026-05-25 18:14:01 prot-na_3100.pdb 202.689
2026-05-25 18:14:25 prot-na_3200.pdb 256.004
2026-05-25 18:14:49 prot-na_3300.pdb 234.525
2026-05-25 18:15:12 prot-na_3400.pdb 182.744
2026-05-25 18:15:36 prot-na_3500.pdb 167.3
2026-05-25 18:15:59 prot-na_3600.pdb 315.785
2026-05-25 18:16:22 prot-na_3700.pdb 162.189
2026-05-25 18:16:47 prot-na_3800.pdb 29.588
2026-05-25 18:17:11 prot-na_3900.pdb 146.36
2026-05-25 18:17:35 prot-na_4000.pdb 114.57
2026-05-25 18:17:59 prot-na_4100.pdb -12.889
2026-05-25 18:18:23 prot-na_4200.pdb 382.743
2026-05-25 18:18:49 prot-na_4300.pdb 115.146
2026-05-25 18:19:14 prot-na_4400.pdb 415.965
2026-05-25 18:19:38 prot-na_4500.pdb -86.371
2026-05-25 18:20:04 prot-na_4600.pdb 231.32
2026-05-25 18:20:30 prot-na_4700.pdb 287.52
2026-05-25 18:20:54 prot-na_4800.pdb 37.038
2026-05-25 18:21:18 prot-na_4900.pdb 86.805
2026-05-25 18:21:43 prot-na_5000.pdb 90.354
2026-05-25 18:22:07 prot-na_5100.pdb 151.966
2026-05-25 18:22:32 prot-na_5200.pdb 18.81
2026-05-25 18:22:58 prot-na_5300.pdb 55.146
2026-05-25 18:23:23 prot-na_5400.pdb 127.299
2026-05-25 18:23:47 prot-na_5500.pdb 184.216
2026-05-25 18:24:12 prot-na_5600.pdb 109.846
2026-05-25 18:24:37 prot-na_5700.pdb 91.539
2026-05-25 18:25:01 prot-na_5800.pdb 256.05
2026-05-25 18:25:25 prot-na_5900.pdb 177.734
2026-05-25 18:25:50 prot-na_6000.pdb 85.226
2026-05-25 18:26:15 prot-na_6100.pdb 10.747
2026-05-25 18:26:39 prot-na_6200.pdb 228.244
2026-05-25 18:27:03 prot-na_6300.pdb 175.518
2026-05-25 18:27:28 prot-na_6400.pdb 192.447
2026-05-25 18:27:54 prot-na_6500.pdb 171.415
2026-05-25 18:28:19 prot-na_6600.pdb 55.121
2026-05-25 18:28:44 prot-na_6700.pdb 82.963
2026-05-25 18:29:08 prot-na_6800.pdb 61.567
2026-05-25 18:29:32 prot-na_6900.pdb 87.34
2026-05-25 18:29:57 prot-na_7000.pdb 299.346
2026-05-25 18:30:21 prot-na_7100.pdb 95.576
2026-05-25 18:30:46 prot-na_7200.pdb 164.103
2026-05-25 18:31:10 prot-na_7300.pdb 83.841
2026-05-25 18:31:35 prot-na_7400.pdb 63.81
2026-05-25 18:32:00 prot-na_7500.pdb 82.786
2026-05-25 18:32:24 prot-na_7600.pdb 125.469
2026-05-25 18:32:49 prot-na_7700.pdb 146.353
2026-05-25 18:33:13 prot-na_7800.pdb 200.008
2026-05-25 18:33:37 prot-na_7900.pdb 215.244
2026-05-25 18:34:02 prot-na_8000.pdb 176.627
2026-05-25 18:34:26 prot-na_8100.pdb 111.34
2026-05-25 18:34:52 prot-na_8200.pdb 282.134
2026-05-25 18:35:16 prot-na_8300.pdb 127.358
2026-05-25 18:35:40 prot-na_8400.pdb 114.084
2026-05-25 18:36:05 prot-na_8500.pdb 255.333
2026-05-25 18:36:29 prot-na_8600.pdb 21.83
2026-05-25 18:36:56 prot-na_8700.pdb 39.421
2026-05-25 18:37:20 prot-na_8800.pdb 129.054
2026-05-25 18:37:45 prot-na_8900.pdb 87.796
2026-05-25 18:38:09 prot-na_9000.pdb 333.098
2026-05-25 18:38:33 prot-na_9100.pdb 316.013
2026-05-25 18:38:58 prot-na_9200.pdb 271.593
2026-05-25 18:39:22 prot-na_9300.pdb 53.589
2026-05-25 18:39:45 prot-na_9400.pdb 94.641
2026-05-25 18:40:09 prot-na_9500.pdb 208.497
2026-05-25 18:40:33 prot-na_9600.pdb 73.323
2026-05-25 18:40:57 prot-na_9700.pdb 82.428
2026-05-25 18:41:21 prot-na_9800.pdb 55.747
2026-05-25 18:41:45 prot-na_9900.pdb 426.955
2026-05-25 18:42:10 prot-na_10000.pdb 120.307
2026-05-25 18:42:34 prot-na_10100.pdb 292.457
2026-05-25 18:42:58 prot-na_10200.pdb 315.43
2026-05-25 18:43:23 prot-na_10300.pdb 122.648
2026-05-25 18:43:47 prot-na_10400.pdb 146.02
2026-05-25 18:44:11 prot-na_10500.pdb 248.671
2026-05-25 18:44:35 prot-na_10600.pdb 282.849
2026-05-25 18:44:59 prot-na_10700.pdb -15.34
2026-05-25 18:45:24 prot-na_10800.pdb 212.931
2026-05-25 18:45:48 prot-na_10900.pdb 172.694
2026-05-25 18:46:13 prot-na_11000.pdb 54.348
2026-05-25 18:46:37 prot-na_11100.pdb 285.695
2026-05-25 18:47:01 prot-na_11200.pdb -25.214
2026-05-25 18:47:26 prot-na_11300.pdb 80.654
2026-05-25 18:47:50 prot-na_11400.pdb 173.321
2026-05-25 18:48:15 prot-na_11500.pdb -19.095
2026-05-25 18:48:39 prot-na_11600.pdb 140.944
2026-05-25 18:49:04 prot-na_11700.pdb 80.209
2026-05-25 18:49:28 prot-na_11800.pdb 157.702
2026-05-25 18:49:52 prot-na_11900.pdb 177.877
2026-05-25 18:50:17 prot-na_12000.pdb 175.087
2026-05-25 18:50:41 prot-na_12100.pdb 100.591
2026-05-25 18:51:05 prot-na_12200.pdb 142.892
2026-05-25 18:51:29 prot-na_12300.pdb 80.946
2026-05-25 18:51:53 prot-na_12400.pdb -12.581
2026-05-25 18:52:17 prot-na_12500.pdb -7.934
2026-05-25 18:52:42 prot-na_12600.pdb 237.508
2026-05-25 18:53:06 prot-na_12700.pdb 444.333
2026-05-25 18:53:30 prot-na_12800.pdb 67.814
2026-05-25 18:53:54 prot-na_12900.pdb 100.599
2026-05-25 18:54:19 prot-na_13000.pdb 244.761
2026-05-25 18:54:43 prot-na_13100.pdb 89.422
2026-05-25 18:55:07 prot-na_13200.pdb -5.209
2026-05-25 18:55:32 prot-na_13300.pdb 183.148
2026-05-25 18:55:56 prot-na_13400.pdb 135.597
2026-05-25 18:56:21 prot-na_13500.pdb 432.337
2026-05-25 18:56:44 prot-na_13600.pdb 150.656
2026-05-25 18:57:09 prot-na_13700.pdb 197.254
2026-05-25 18:57:33 prot-na_13800.pdb 0.632
2026-05-25 18:57:58 prot-na_13900.pdb 44.115
2026-05-25 18:58:22 prot-na_14000.pdb 80.803
2026-05-25 18:58:47 prot-na_14100.pdb 140.817
2026-05-25 18:59:12 prot-na_14200.pdb -0.23
2026-05-25 18:59:37 prot-na_14300.pdb 187.66
2026-05-25 19:00:02 [..]g prot-na_13400.pdb 135.597
msg prot-na_13500.pdb 432.337
msg prot-na_13600.pdb 150.656
msg prot-na_13700.pdb 197.254
msg prot-na_13800.pdb 0.632
msg prot-na_13900.pdb 44.115
msg prot-na_14000.pdb 80.803
msg prot-na_14100.pdb 140.817
msg prot-na_14200.pdb -0.23
msg prot-na_14300.pdb 187.66
Traceback (most recent call last):
  File "/home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py", line 537, in <module>
    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
6184.57user 384.96system 1:52:02elapsed 97%CPU (0avgtext+0avgdata 235988maxresident)k
5156280inputs+6912816outputs (25major+43428084minor)pagefaults 0swaps