2026-06-04 07:38:03 NPdock start
2026-06-04 07:38:03 ver: server
2026-06-04 07:38:03 mode: 11111
2026-06-04 07:38:03 is RNA? 0
2026-06-04 07:38:03 Interface: prot: '' na: ''
2026-06-04 07:38:03 Curr dir:/home/rpdock/web/media/jobs/f775fcb9-c42c-47c5-8a1a-88877a6d28b4/
2026-06-04 07:38:03 GRAMM in progress...
2026-06-04 07:38:03 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb  -pi '' -ri '' -n 1 -pf '*' -rf '*'
2026-06-04 09:42:23 GRAMM done
2026-06-04 09:42:23 DNP scoring in progress...
2026-06-04 09:42:23 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt
2026-06-04 09:42:23 QDV-DNP starts
2026-06-04 09:42:23 Show log every 100 structures
2026-06-04 09:42:23 QUASI-DNP starts
2026-06-04 09:42:24 prot-na_1000.pdb -662853.089056
2026-06-04 09:43:23 prot-na_93.pdb -546009.617653
2026-06-04 09:44:26 prot-na_193.pdb -862525.84683
2026-06-04 09:45:31 prot-na_293.pdb -575140.999259
2026-06-04 09:46:38 prot-na_393.pdb -768489.403048
2026-06-04 09:47:46 prot-na_493.pdb -742019.540871
2026-06-04 09:48:56 prot-na_593.pdb -593154.057315
2026-06-04 09:50:03 prot-na_693.pdb -617998.182509
2026-06-04 09:51:11 prot-na_793.pdb -765305.746542
2026-06-04 09:52:17 prot-na_893.pdb -701722.854977
2026-06-04 09:53:24 prot-na_993.pdb -858271.484193
2026-06-04 09:54:31 prot-na_1099.pdb -710213.021679
2026-06-04 09:55:38 prot-na_1199.pdb -722318.53982
2026-06-04 09:56:44 prot-na_1299.pdb -717556.863738
2026-06-04 09:57:50 prot-na_1399.pdb -752430.988157
2026-06-04 09:58:58 prot-na_1499.pdb -670400.450996
2026-06-04 10:00:05 prot-na_1599.pdb -804208.505273
2026-06-04 10:01:17 prot-na_1699.pdb -704805.150342
2026-06-04 10:02:28 prot-na_1799.pdb -729144.861432
2026-06-04 10:03:37 prot-na_1899.pdb -575679.828904
2026-06-04 10:04:44 prot-na_1999.pdb -722489.892653
2026-06-04 10:05:55 prot-na_2099.pdb -609770.654389
2026-06-04 10:07:08 prot-na_2199.pdb -765245.840137
2026-06-04 10:08:18 prot-na_2299.pdb -573846.414962
2026-06-04 10:09:29 prot-na_2399.pdb -841003.36177
2026-06-04 10:10:39 prot-na_2499.pdb -769794.046025
2026-06-04 10:11:49 prot-na_2599.pdb -631797.995971
2026-06-04 10:12:58 prot-na_2699.pdb -647948.762107
2026-06-04 10:14:07 prot-na_2799.pdb -670330.207269
2026-06-04 10:15:14 prot-na_2899.pdb -531599.239827
2026-06-04 10:16:21 prot-na_2999.pdb -860521.464794
2026-06-04 10:17:28 prot-na_3099.pdb -605553.785683
2026-06-04 10:18:34 prot-na_3199.pdb -554142.870594
2026-06-04 10:19:40 prot-na_3299.pdb -705502.727761
2026-06-04 10:20:45 prot-na_3399.pdb -649151.254146
2026-06-04 10:21:51 prot-na_3499.pdb -681772.896418
2026-06-04 10:22:57 prot-na_3599.pdb -464119.842542
2026-06-04 10:24:03 prot-na_3699.pdb -789092.789524
2026-06-04 10:25:10 prot-na_3799.pdb -854998.778362
2026-06-04 10:26:17 prot-na_3899.pdb -906464.013243
2026-06-04 10:27:23 prot-na_3999.pdb -629939.9011
2026-06-04 10:28:28 prot-na_4099.pdb -512186.526218
2026-06-04 10:29:34 prot-na_4199.pdb -579650.246685
2026-06-04 10:30:40 prot-na_4299.pdb -450268.944603
2026-06-04 10:31:47 prot-na_4399.pdb -830134.656738
2026-06-04 10:32:53 prot-na_4499.pdb -790674.400349
2026-06-04 10:33:58 prot-na_4599.pdb -714268.925708
2026-06-04 10:35:03 prot-na_4699.pdb -636107.345678
2026-06-04 10:36:08 prot-na_4799.pdb -540743.615292
2026-06-04 10:37:12 prot-na_4899.pdb -1018934.92797
2026-06-04 10:38:17 prot-na_4999.pdb -851459.220166
2026-06-04 10:39:21 prot-na_5099.pdb -501291.851651
2026-06-04 10:40:25 prot-na_5199.pdb -741197.24923
2026-06-04 10:41:30 prot-na_5299.pdb -600578.210665
2026-06-04 10:42:34 prot-na_5399.pdb -677811.200042
2026-06-04 10:43:38 prot-na_5499.pdb -548387.653378
2026-06-04 10:44:44 prot-na_5599.pdb -865095.530156
2026-06-04 10:45:52 prot-na_5699.pdb -554854.851607
2026-06-04 10:47:00 prot-na_5799.pdb -462554.08186
2026-06-04 10:48:07 prot-na_5899.pdb -701587.988297
2026-06-04 10:49:14 prot-na_5999.pdb -702404.677013
2026-06-04 10:50:21 prot-na_6099.pdb -475600.687473
2026-06-04 10:51:26 prot-na_6199.pdb -475454.146412
2026-06-04 10:52:30 prot-na_6299.pdb -834362.777463
2026-06-04 10:53:34 prot-na_6399.pdb -524755.229726
2026-06-04 10:54:38 prot-na_6499.pdb -570318.587073
2026-06-04 10:55:42 prot-na_6599.pdb -806325.473961
2026-06-04 10:56:48 prot-na_6699.pdb -401477.526889
2026-06-04 10:57:56 prot-na_6799.pdb -534385.249316
2026-06-04 10:59:02 prot-na_6899.pdb -587708.85563
2026-06-04 11:00:07 prot-na_6999.pdb -531698.026786
2026-06-04 11:01:12 prot-na_7099.pdb -564256.629444
2026-06-04 11:02:15 prot-na_7199.pdb -444786.516964
2026-06-04 11:03:20 prot-na_7299.pdb -780827.121003
2026-06-04 11:04:23 prot-na_7399.pdb -556468.615327
2026-06-04 11:05:25 prot-na_7499.pdb -666610.425878
2026-06-04 11:06:28 prot-na_7599.pdb -627707.135548
2026-06-04 11:07:31 prot-na_7699.pdb -506588.936507
2026-06-04 11:08:33 prot-na_7799.pdb -609573.027549
2026-06-04 11:09:36 prot-na_7899.pdb -914023.842822
2026-06-04 11:10:39 prot-na_7999.pdb -725854.293711
2026-06-04 11:11:41 prot-na_8099.pdb -464290.119745
2026-06-04 11:12:43 prot-na_8199.pdb -549051.166974
2026-06-04 11:13:44 prot-na_8299.pdb -512845.385091
2026-06-04 11:14:45 prot-na_8399.pdb -719525.590072
2026-06-04 11:15:56 prot-na_8499.pdb -631854.49934
2026-06-04 11:17:04 prot-na_8599.pdb -687349.038445
2026-06-04 11:18:08 prot-na_8699.pdb -423110.043368
2026-06-04 11:19:10 prot-na_8799.pdb -909626.130757
2026-06-04 11:20:12 prot-na_8899.pdb -518134.18002
2026-06-04 11:21:15 prot-na_8999.pdb -584256.615208
2026-06-04 11:22:27 prot-na_9099.pdb -456021.186598
2026-06-04 11:23:37 prot-na_9199.pdb -562062.521743
2026-06-04 11:24:45 prot-na_9299.pdb -880951.586979
2026-06-04 11:25:53 prot-na_9399.pdb -440672.527905
2026-06-04 11:26:59 prot-na_9499.pdb -429120.621855
2026-06-04 11:28:05 prot-na_9599.pdb -633500.501726
2026-06-04 11:29:10 prot-na_9699.pdb -484351.158315
2026-06-04 11:30:16 prot-na_9799.pdb -836028.540259
2026-06-04 11:31:21 prot-na_9899.pdb -667130.624262
2026-06-04 11:32:25 prot-na_9999.pdb -553530.136332
2026-06-04 11:33:28 prot-na_10099.pdb -638686.066317
2026-06-04 11:34:33 prot-na_10199.pdb -532880.010734
2026-06-04 11:35:38 prot-na_10299.pdb -532200.07309
2026-06-04 11:36:40 prot-na_10399.pdb -721981.97807
2026-06-04 11:37:42 prot-na_10499.pdb -641741.608943
2026-06-04 11:38:44 prot-na_10599.pdb -673386.938641
2026-06-04 11:39:49 prot-na_10699.pdb -537189.625242
2026-06-04 11:40:51 prot-na_10799.pdb -787779.904373
2026-06-04 11:41:53 prot-na_10899.pdb -566440.710302
2026-06-04 11:42:54 prot-na_10999.pdb -556658.611422
2026-06-04 11:43:59 prot-na_11099.pdb -516038.204104
2026-06-04 11:45:01 prot-na_11199.pdb -536736.051691
2026-06-04 11:46:03 prot-na_11299.pdb -565205.004848
2026-06-04 11:47:05 prot-na_11399.pdb -761702.434622
2026-06-04 11:48:07 prot-na_11499.pdb -726263.420991
2026-06-04 11:49:10 prot-na_11599.pdb -517541.746167
2026-06-04 11:50:11 prot-na_11699.pdb -821706.472094
2026-06-04 11:51:12 prot-na_11799.pdb -602815.477334
2026-06-04 11:52:14 prot-na_11899.pdb -718181.731098
2026-06-04 11:53:15 prot-na_11999.pdb -516461.764374
2026-06-04 11:54:17 prot-na_12099.pdb -564505.468693
2026-06-04 11:55:19 prot-na_12199.pdb -605762.426858
2026-06-04 11:56:20 prot-na_12299.pdb -462596.303952
2026-06-04 11:57:21 prot-na_12399.pdb -778816.011244
2026-06-04 11:58:22 prot-na_12499.pdb -962939.236141
2026-06-04 11:59:22 prot-na_12599.pdb -816434.774194
2026-06-04 12:00:23 prot-na_12699.pdb -580486.225109
2026-06-04 12:01:24 prot-na_12799.pdb -582778.124679
2026-06-04 12:02:25 prot-na_12899.pdb -791142.508168
2026-06-04 12:03:27 prot-na_12999.pdb -449395.03547
2026-06-04 12:04:28 prot-na_13099.pdb -738790.671549
2026-06-04 12:05:30 prot-na_13199.pdb -468598.156894
2026-06-04 12:06:32 prot-na_13299.pdb -628965.839566
2026-06-04 12:07:34 prot-na_13399.pdb -497256.307831
2026-06-04 12:08:35 prot-na_13499.pdb -607990.500269
2026-06-04 12:09:40 prot-na_13599.pdb -570577.077388
2026-06-04 12:10:44 prot-na_13699.pdb -743330.345973
2026-06-04 12:11:47 prot-na_13799.pdb -462248.112945
2026-06-04 12:12:48 prot-na_13899.pdb -859729.302324
2026-06-04 12:13:50 prot-na_13999.pdb -742092.481904
2026-06-04 12:14:52 prot-na_14099.pdb -775822.332946
2026-06-04 12:15:56 prot-na_14199.pdb -755819.246379
2026-06-04 12:16:59 prot-na_14299.pdb -874489.49681
2026-06-04 12:18:02 prot-na_14399.pdb -800366.821696
2026-06-04 12:19:06 prot-na_14499.pdb -653048.085766
2026-06-04 12:20:09 prot-na_14599.pdb -971647.29072
2026-06-04 12:21:12 prot-na_14699.pdb -688180.165245
2026-06-04 12:22:15 prot-na_14799.pdb -567553.953211
2026-06-04 12:23:18 prot-na_14899.pdb -536557.778501
2026-06-04 12:24:22 prot-na_14999.pdb -579907.001317
2026-06-04 12:25:25 prot-na_15099.pdb -442414.86539
2026-06-04 12:26:28 prot-na_15199.pdb -538088.74956
2026-06-04 12:27:31 prot-na_15299.pdb -699897.196778
2026-06-04 12:28:33 prot-na_15399.pdb -704504.933862
2026-06-04 12:29:36 prot-na_15499.pdb -554338.82121
2026-06-04 12:30:38 prot-na_15599.pdb -977915.044502
2026-06-04 12:31:41 prot-na_15699.pdb -499943.453862
2026-06-04 12:32:44 prot-na_15799.pdb -695003.35032
2026-06-04 12:33:47 prot-na_15899.pdb -570163.015845
2026-06-04 12:34:50 prot-na_15999.pdb -527595.178724
2026-06-04 12:35:53 prot-na_16099.pdb -401023.199267
2026-06-04 12:36:56 prot-na_16199.pdb -545491.848391
2026-06-04 12:37:59 prot-na_16299.pdb -687596.327605
2026-06-04 12:39:02 prot-na_16399.pdb -490216.06977
2026-06-04 12:40:06 prot-na_16499.pdb -539504.181018
2026-06-04 12:41:09 prot-na_16599.pdb -559929.818601
2026-06-04 12:42:10 prot-na_16699.pdb -436170.972111
2026-06-04 12:43:10 prot-na_16799.pdb -824099.407357
2026-06-04 12:44:11 prot-na_16898.pdb -464970.385818
2026-06-04 12:45:13 prot-na_16998.pdb -638974.263086
2026-06-04 12:46:16 prot-na_17100.pdb -626766.595056
2026-06-04 12:47:19 prot-na_17198.pdb -550456.21855
2026-06-04 12:48:21 prot-na_17300.pdb -645074.980013
2026-06-04 12:49:23 prot-na_17399.pdb -797094.588345
2026-06-04 12:50:26 prot-na_17498.pdb -474550.599874
2026-06-04 12:51:29 prot-na_17598.pdb -399495.062277
2026-06-04 12:52:32 prot-na_17698.pdb -618628.038744
2026-06-04 12:53:35 prot-na_17798.pdb -819445.267147
2026-06-04 12:54:39 prot-na_17899.pdb -784100.920587
2026-06-04 12:55:41 prot-na_17998.pdb -440052.663739
2026-06-04 12:56:45 prot-na_18102.pdb -415256.347556
2026-06-04 12:57:48 prot-na_18200.pdb -487705.734812
2026-06-04 12:58:51 prot-na_18299.pdb -413806.573033
2026-06-04 12:59:55 prot-na_18400.pdb -644777.65737
2026-06-04 13:00:58 prot-na_18502.pdb -665923.940454
2026-06-04 13:02:01 prot-na_18599.pdb -734178.805533
2026-06-04 13:03:06 prot-na_18699.pdb -780418.882353
2026-06-04 13:04:10 prot-na_18799.pdb -621572.634372
2026-06-04 13:05:14 prot-na_18900.pdb -522690.626236
2026-06-04 13:06:20 prot-na_19000.pdb -500593.433101
2026-06-04 13:07:25 prot-na_19107.pdb -430027.468348
2026-06-04 13:08:30 prot-na_19199.pdb -341575.303834
2026-06-04 13:09:35 prot-na_19299.pdb -354580.259594
2026-06-04 13:10:40 prot-na_19399.pdb -546201.137362
2026-06-04 13:11:44 prot-na_19506.pdb -487535.942813
2026-06-04 13:12:48 prot-na_19604.pdb -610460.428483
2026-06-04 13:13:52 prot-na_19699.pdb -580165.207903
2026-06-04 13:14:54 prot-na_19799.pdb -786941.492889
2026-06-04 13:15:58 prot-na_19899.pdb -394131.934866
2026-06-04 13:17:02 prot-na_20000.pdb -367279.783021
2026-06-04 13:17:02 Varani starts
2026-06-04 13:17:02 prot-na_1000.pdb 151.405
2026-06-04 13:17:53 prot-na_93.pdb 174.945
2026-06-04 13:18:44 prot-na_193.pdb 455.433
2026-06-04 13:19:35 prot-na_293.pdb 188.421
2026-06-04 13:20:26 prot-na_393.pdb 81.176
2026-06-04 13:21:19 prot-na_493.pdb 304.051
2026-06-04 13:22:11 prot-na_593.pdb -28.654
2026-06-04 13:23:02 prot-na_693.pdb 190.636
2026-06-04 13:23:54 prot-na_793.pdb 387.815
2026-06-04 13:24:45 prot-na_893.pdb 176.293
2026-06-04 13:25:37 prot-na_993.pdb 170.531
2026-06-04 13:26:28 prot-na_1099.pdb 163.977
2026-06-04 13:27:20 prot-na_1199.pdb 154.979
2026-06-04 13:28:12 prot-na_1299.pdb 128.842
2026-06-04 13:29:03 prot-na_1399.pdb 111.562
2026-06-04 13:29:54 prot-na_1499.pdb 145.15
2026-06-04 13:30:46 prot-na_1599.pdb 198.967
2026-06-04 13:31:37 prot-na_1699.pdb 95.127
2026-06-04 13:32:28 prot-na_1799.pdb 419.833
2026-06-04 13:33:19 prot-na_1899.pdb 155.214
2026-06-04 13:34:09 prot-na_1999.pdb 145.19
2026-06-04 13:35:01 prot-na_2099.pdb 75.679
2026-06-04 13:35:51 prot-na_2199.pdb 232.013
2026-06-04 13:36:43 prot-na_2299.pdb 228.074
2026-06-04 13:37:34 prot-na_2399.pdb 181.846
2026-06-04 13:38:27 prot-na_2499.pdb 154.728
2026-06-04 13:39:19 prot-na_2599.pdb 262.3
2026-06-04 13:40:11 prot-na_2699.pdb 100.543
2026-06-04 13:41:03 prot-na_2799.pdb 263.852
2026-06-04 13:41:53 prot-na_2899.pdb 162.404
2026-06-04 13:42:45 prot-na_2999.pdb 242.246
2026-06-04 13:43:37 prot-na_3099.pdb 104.143
2026-06-04 13:44:28 prot-na_3199.pdb 216.821
2026-06-04 13:45:19 prot-na_3299.pdb -55.116
2026-06-04 13:46:10 prot-na_3399.pdb 278.995
2026-06-04 13:47:00 prot-na_3499.pdb 246.223
2026-06-04 13:47:50 prot-na_3599.pdb 158.674
2026-06-04 13:48:40 prot-na_3699.pdb 203.606
2026-06-04 13:49:31 prot-na_3799.pdb 389.684
2026-06-04 13:50:21 prot-na_3899.pdb 285.209
2026-06-04 13:51:12 prot-na_3999.pdb 242.361
2026-06-04 13:52:03 prot-na_4099.pdb 308.952
2026-06-04 13:52:54 prot-na_4199.pdb 175.749
2026-06-04 13:53:45 prot-na_4299.pdb 53.203
2026-06-04 13:54:36 prot-na_4399.pdb 134.858
2026-06-04 13:55:27 prot-na_4499.pdb 273.367
2026-06-04 13:56:18 prot-na_4599.pdb 177.733
2026-06-04 13:57:09 prot-na_4699.pdb 142.22
2026-06-04 13:58:02 prot-na_4799.pdb 127.974
2026-06-04 13:58:53 prot-na_4899.pdb 393.414
2026-06-04 13:59:43 prot-na_4999.pdb 203.818
2026-06-04 14:00:34 prot-na_5099.pdb 266.786
2026-06-04 14:01:24 prot-na_5199.pdb 402.449
2026-06-04 14:02:15 prot-na_5299.pdb 35.229
2026-06-04 14:03:05 prot-na_5399.pdb 86.599
2026-06-04 14:03:56 prot-na_5499.pdb 208.147
2026-06-04 14:04:47 prot-na_5599.pdb 188.265
2026-06-04 14:05:38 prot-na_5699.pdb 183.843
2026-06-04 14:06:29 prot-na_5799.pdb 76.965
2026-06-04 14:07:20 prot-na_5899.pdb 262.396
2026-06-04 14:08:11 prot-na_5999.pdb 259.202
2026-06-04 14:09:02 prot-na_6099.pdb 93.251
2026-06-04 14:09:53 prot-na_6199.pdb 290.285
2026-06-04 14:10:44 prot-na_6299.pdb 313.161
2026-06-04 14:11:35 prot-na_6399.pdb 105.425
2026-06-04 14:12:25 prot-na_6499.pdb 70.945
2026-06-04 14:13:16 prot-na_6599.pdb 365.568
2026-06-04 14:14:08 prot-na_6699.pdb 182.12
2026-06-04 14:14:58 prot-na_6799.pdb 75.231
2026-06-04 14:15:49 prot-na_6899.pdb 187.416
2026-06-04 14:16:40 prot-na_6999.pdb 236.604
2026-06-04 14:17:31 prot-na_7099.pdb 198.9
2026-06-04 14:18:22 prot-na_7199.pdb 154.616
2026-06-04 14:19:13 prot-na_7299.pdb 83.303
2026-06-04 14:20:04 prot-na_7399.pdb 92.008
2026-06-04 14:20:55 prot-na_7499.pdb 234.471
2026-06-04 14:21:45 prot-na_7599.pdb 143.08
2026-06-04 14:22:36 prot-na_7699.pdb 123.206
2026-06-04 14:23:27 prot-na_7799.pdb 236.331
2026-06-04 14:24:18 prot-na_7899.pdb 188.251
2026-06-04 14:25:09 prot-na_7999.pdb 124.946
2026-06-04 14:26:00 prot-na_8099.pdb 96.24
2026-06-04 14:26:50 prot-na_8199.pdb 288.892
2026-06-04 14:27:42 prot-na_8299.pdb 222.854
2026-06-04 14:28:34 prot-na_8399.pdb 81.088
2026-06-04 14:29:24 prot-na_8499.pdb 122.885
2026-06-04 14:30:14 prot-na_8599.pdb 190.864
2026-06-04 14:31:05 prot-na_8699.pdb 69.526
2026-06-04 14:31:56 prot-na_8799.pdb 264.592
2026-06-04 14:32:48 prot-na_8899.pdb 247.923
2026-06-04 14:33:38 prot-na_8999.pdb 164.034
2026-06-04 14:34:28 prot-na_9099.pdb 108.143
2026-06-04 14:35:19 prot-na_9199.pdb 77.3
2026-06-04 14:36:10 prot-na_9299.pdb 449.762
2026-06-04 14:37:00 prot-na_9399.pdb 85.523
2026-06-04 14:37:50 prot-na_9499.pdb 112.048
2026-06-04 14:38:40 prot-na_9599.pdb 242.607
2026-06-04 14:39:31 prot-na_9699.pdb 60.371
2026-06-04 14:40:21 prot-na_9799.pdb 135.41
2026-06-04 14:41:12 prot-na_9899.pdb 238.609
2026-06-04 14:42:03 prot-na_9999.pdb 42.395
2026-06-04 14:42:54 prot-na_10099.pdb 158.865
2026-06-04 14:43:46 prot-na_10199.pdb 125.755
2026-06-04 14:44:37 prot-na_10299.pdb 185.501
2026-06-04 14:45:28 prot-na_10399.pdb 109.129
2026-06-04 14:46:20 prot-na_10499.pdb 150.019
2026-06-04 14:47:11 prot-na_10599.pdb 131.214
2026-06-04 14:48:02 prot-na_10699.pdb 178.68
2026-06-04 14:48:52 prot-na_10799.pdb 622.151
2026-06-04 14:49:43 prot-na_10899.pdb 109.745
2026-06-04 14:50:34 prot-na_10999.pdb 188.451
2026-06-04 14:51:24 prot-na_11099.pdb 277.527
2026-06-04 14:52:16 prot-na_11199.pdb 30.421
2026-06-04 14:53:06 prot-na_11299.pdb 108.131
2026-06-04 14:53:57 prot-na_11399.pdb 250.373
2026-06-04 14:54:47 prot-na_11499.pdb 228.208
2026-06-04 14:55:38 prot-na_11599.pdb 17.479
2026-06-04 14:56:29 prot-na_11699.pdb -0.78
2026-06-04 14:57:21 prot-na_11799.pdb 217.716
2026-06-04 14:58:11 prot-na_11899.pdb 82.249
2026-06-04 14:59:02 prot-na_11999.pdb 262.382
2026-06-04 14:59:53 prot-na_12099.pdb 23.7
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2026-06-04 15:01:34 prot-na_12299.pdb 203.724
2026-06-04 15:02:25 prot-na_12399.pdb 323.204
2026-06-04 15:03:16 prot-na_12499.pdb 667.15
2026-06-04 15:04:06 prot-na_12599.pdb 168.141
2026-06-04 15:04:57 prot-na_12699.pdb -15.329
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2026-06-04 15:06:39 prot-na_12899.pdb 248.643
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2026-06-04 15:08:21 prot-na_13099.pdb 521.883
2026-06-04 15:09:11 prot-na_13199.pdb 21.363
2026-06-04 15:10:03 prot-na_13299.pdb 140.756
2026-06-04 15:10:55 prot-na_13399.pdb 57.887
2026-06-04 15:11:47 prot-na_13499.pdb 353.485
2026-06-04 15:12:38 prot-na_13599.pdb 31.86
2026-06-04 15:13:29 prot-na_13699.pdb 125.738
2026-06-04 15:14:20 prot-na_13799.pdb 84.867
2026-06-04 15:15:11 prot-na_13899.pdb 55.854
2026-06-04 15:16:01 prot-na_13999.pdb 193.876
2026-06-04 15:16:52 prot-na_14099.pdb 508.878
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2026-06-04 15:18:33 prot-na_14299.pdb 309.406
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2026-06-04 15:21:04 prot-na_14599.pdb 316.492
2026-06-04 15:21:55 prot-na_14699.pdb 342.734
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2026-06-04 15:24:26 prot-na_14999.pdb 43.829
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2026-06-04 15:30:25 prot-na_15699.pdb 207.8
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2026-06-04 15:32:07 prot-na_15899.pdb 102.396
2026-06-04 15:32:58 prot-na_15999.pdb 109.659
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2026-06-04 15:36:22 prot-na_16399.pdb 168.171
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2026-06-04 15:39:47 prot-na_16799.pdb 247.316
2026-06-04 15:40:39 prot-na_16898.pdb 70.832
2026-06-04 15:41:31 prot-na_16998.pdb 222.917
2026-06-04 15:42:22 prot-na_17100.pdb 80.62
2026-06-04 15:43:13 prot-na_17198.pdb 105.56
2026-06-04 15:44:04 prot-na_17300.pdb 209.819
2026-06-04 15:44:55 prot-na_17399.pdb 307.283
2026-06-04 15:45:46 prot-na_17498.pdb -11.989
2026-06-04 15:46:37 prot-na_17598.pdb 210.054
2026-06-04 15:47:27 prot-na_17698.pdb 9.993
2026-06-04 15:48:18 prot-na_17798.pdb 375.448
2026-06-04 15:49:09 prot-na_17899.pdb 156.51
2026-06-04 15:50:02 prot-na_17998.pdb 128.149
2026-06-04 15:50:53 prot-na_18102.pdb 60.352
2026-06-04 15:51:43 prot-na_18200.pdb 115.141
2026-06-04 15:52:34 prot-na_18299.pdb 161.521
2026-06-04 15:53:25 prot-na_18400.pdb 154.385
2026-06-04 15:54:17 prot-na_18502.pdb 338.12
2026-06-04 15:55:09 prot-na_18599.pdb 257.043
2026-06-04 15:56:00 prot-na_18699.pdb 135.186
2026-06-04 15:56:51 prot-na_18799.pdb 274.144
2026-06-04 15:57:42 prot-na_18900.pdb 58.384
2026-06-04 15:58:33 prot-na_19000.pdb 154.159
2026-06-04 15:59:24 prot-na_19107.pdb 90.123
2026-06-04 16:00:15 prot-na_19199.pdb 164.533
2026-06-04 16:01:06 prot-na_19299.pdb 205.758
2026-06-04 16:01:57 prot-na_19399.pdb 33.924
2026-06-04 16:02:47 prot-na_19506.pdb 25.109
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2026-06-04 16:05:20 prot-na_19799.pdb 234.441
2026-06-04 16:06:10 prot-na_19899.pdb 87.113
2026-06-04 16:07:01 prot-na_20000.pdb 120.801
2026-06-04 16:07:01 DFIRE starts
2026-06-04 16:07:01 prot-na_1000.pdb -74.408502
2026-06-04 16:07:49 prot-na_93.pdb -59.391369
2026-06-04 16:08:36 prot-na_193.pdb -66.057861
2026-06-04 16:09:24 prot-na_293.pdb -63.249938
2026-06-04 16:10:12 prot-na_393.pdb -90.656098
2026-06-04 16:11:01 prot-na_493.pdb -68.616541
2026-06-04 16:11:49 prot-na_593.pdb -54.453829
2026-06-04 16:12:37 prot-na_693.pdb -55.253736
2026-06-04 16:13:24 prot-na_793.pdb -68.706171
2026-06-04 16:14:12 prot-na_893.pdb -89.396361
2026-06-04 16:15:00 prot-na_993.pdb -80.357023
2026-06-04 16:15:48 prot-na_1099.pdb -67.851697
2026-06-04 16:16:35 prot-na_1199.pdb -84.558450
2026-06-04 16:17:23 prot-na_1299.pdb -80.927780
2026-06-04 16:18:11 prot-na_1399.pdb -77.976881
2026-06-04 16:18:59 prot-na_1499.pdb -71.631296
2026-06-04 16:19:46 prot-na_1599.pdb -86.191316
2026-06-04 16:20:35 prot-na_1699.pdb -66.213174
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2026-06-04 16:22:10 prot-na_1899.pdb -70.234782
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2026-06-04 16:27:48 prot-na_2599.pdb -60.062778
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2026-06-04 16:35:00 prot-na_3499.pdb -60.571740
2026-06-04 16:35:48 prot-na_3599.pdb -56.453240
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2026-06-04 16:39:01 prot-na_3999.pdb -71.713020
2026-06-04 16:39:48 prot-na_4099.pdb -55.384769
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2026-06-04 16:42:12 prot-na_4399.pdb -74.151515
2026-06-04 16:42:59 prot-na_4499.pdb -70.099793
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2026-06-04 16:50:11 prot-na_5399.pdb -57.178718
2026-06-04 16:50:59 prot-na_5499.pdb -58.407236
2026-06-04 16:51:47 prot-na_5599.pdb -83.983336
2026-06-04 16:52:35 prot-na_5699.pdb -49.964272
2026-06-04 16:53:23 prot-na_5799.pdb -36.727518
2026-06-04 16:54:10 prot-na_5899.pdb -63.942377
2026-06-04 16:54:58 prot-na_5999.pdb -79.852714
2026-06-04 16:55:46 prot-na_6099.pdb -52.045800
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2026-06-04 16:58:09 prot-na_6399.pdb -66.337434
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2026-06-04 16:59:45 prot-na_6599.pdb -89.939559
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2026-06-04 17:02:57 prot-na_6999.pdb -60.664757
2026-06-04 17:03:46 prot-na_7099.pdb -61.857583
2026-06-04 17:04:35 prot-na_7199.pdb -45.426093
2026-06-04 17:05:23 prot-na_7299.pdb -92.126052
2026-06-04 17:06:12 prot-na_7399.pdb -48.348400
2026-06-04 17:06:59 prot-na_7499.pdb -62.522837
2026-06-04 17:07:47 prot-na_7599.pdb -66.460135
2026-06-04 17:08:34 prot-na_7699.pdb -45.974712
2026-06-04 17:09:22 prot-na_7799.pdb -64.142157
2026-06-04 17:10:10 prot-na_7899.pdb -74.291383
2026-06-04 17:10:57 prot-na_7999.pdb -64.272116
2026-06-04 17:11:45 prot-na_8099.pdb -46.666758
2026-06-04 17:12:33 prot-na_8199.pdb -75.629256
2026-06-04 17:13:20 prot-na_8299.pdb -57.100482
2026-06-04 17:14:08 prot-na_8399.pdb -73.606361
2026-06-04 17:14:56 prot-na_8499.pdb -65.342871
2026-06-04 17:15:44 prot-na_8599.pdb -54.453244
2026-06-04 17:16:32 prot-na_8699.pdb -34.674760
2026-06-04 17:17:20 prot-na_8799.pdb -90.368869
2026-06-04 17:18:08 prot-na_8899.pdb -65.206411
2026-06-04 17:18:56 prot-na_8999.pdb -53.829681
2026-06-04 17:19:44 prot-na_9099.pdb -51.460600
2026-06-04 17:20:32 prot-na_9199.pdb -63.021076
2026-06-04 17:21:19 prot-na_9299.pdb -87.951781
2026-06-04 17:22:07 prot-na_9399.pdb -37.907637
2026-06-04 17:22:55 prot-na_9499.pdb -48.951871
2026-06-04 17:23:43 prot-na_9599.pdb -65.467807
2026-06-04 17:24:31 prot-na_9699.pdb -59.482297
2026-06-04 17:25:19 prot-na_9799.pdb -78.283967
2026-06-04 17:26:07 prot-na_9899.pdb -67.819393
2026-06-04 17:26:54 prot-na_9999.pdb -53.933703
2026-06-04 17:27:42 prot-na_10099.pdb -61.507593
2026-06-04 17:28:30 prot-na_10199.pdb -59.632196
2026-06-04 17:29:18 prot-na_10299.pdb -56.652928
2026-06-04 17:30:05 prot-na_10399.pdb -70.163498
2026-06-04 17:30:57 prot-na_10499.pdb -64.556895
2026-06-04 17:31:46 prot-na_10599.pdb -64.396172
2026-06-04 17:32:35 prot-na_10699.pdb -71.048561
2026-06-04 17:33:24 prot-na_10799.pdb -79.686049
2026-06-04 17:34:12 prot-na_10899.pdb -61.061751
2026-06-04 17:35:01 prot-na_10999.pdb -53.781374
2026-06-04 17:35:49 prot-na_11099.pdb -52.121264
2026-06-04 17:36:38 prot-na_11199.pdb -62.208029
2026-06-04 17:37:26 prot-na_11299.pdb -55.225748
2026-06-04 17:38:15 prot-na_11399.pdb -67.054535
2026-06-04 17:39:03 prot-na_11499.pdb -81.425609
2026-06-04 17:39:52 prot-na_11599.pdb -54.564413
2026-06-04 17:40:41 prot-na_11699.pdb -78.449479
2026-06-04 17:41:30 prot-na_11799.pdb -80.408730
2026-06-04 17:42:19 prot-na_11899.pdb -57.491160
2026-06-04 17:43:07 prot-na_11999.pdb -55.699444
2026-06-04 17:43:55 prot-na_12099.pdb -61.484112
2026-06-04 17:44:43 prot-na_12199.pdb -55.134137
2026-06-04 17:45:32 prot-na_12299.pdb -42.000780
2026-06-04 17:46:21 prot-na_12399.pdb -80.509393
2026-06-04 17:47:10 prot-na_12499.pdb -93.775537
2026-06-04 17:47:59 prot-na_12599.pdb -107.130673
2026-06-04 17:48:50 prot-na_12699.pdb -69.980657
2026-06-04 17:49:41 prot-na_12799.pdb -47.173506
2026-06-04 17:50:32 prot-na_12899.pdb -101.939718
2026-06-04 17:51:23 prot-na_12999.pdb -46.946806
2026-06-04 17:52:14 prot-na_13099.pdb -81.440985
2026-06-04 17:53:05 prot-na_13199.pdb -44.864431
2026-06-04 17:53:55 prot-na_13299.pdb -69.717922
2026-06-04 17:54:46 prot-na_13399.pdb -51.620889
2026-06-04 17:55:37 prot-na_13499.pdb -80.736115
2026-06-04 17:56:28 prot-na_13599.pdb -65.316783
2026-06-04 17:57:19 prot-na_13699.pdb -61.133776
2026-06-04 17:58:10 prot-na_13799.pdb -51.500709
2026-06-04 17:59:00 prot-na_13899.pdb -73.851591
2026-06-04 17:59:51 prot-na_13999.pdb -92.480240
2026-06-04 18:00:02 [..]-44.864431
msg prot-na_13299.pdb -69.717922
msg prot-na_13399.pdb -51.620889
msg prot-na_13499.pdb -80.736115
msg prot-na_13599.pdb -65.316783
msg prot-na_13699.pdb -61.133776
msg prot-na_13799.pdb -51.500709
msg prot-na_13899.pdb -73.851591
msg prot-na_13999.pdb -92.480240
Traceback (most recent call last):
  File "/home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py", line 586, in <module>
    dfire = subprocess.check_output(cmd)
  File "/usr/lib/python2.7/subprocess.py", line 567, in check_output
    process = Popen(stdout=PIPE, *popenargs, **kwargs)
  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
28477.58user 1114.27system 8:17:39elapsed 99%CPU (0avgtext+0avgdata 263328maxresident)k
40046120inputs+29764376outputs (36major+168114774minor)pagefaults 0swaps