2026-03-13 11:22:04 NPdock start
2026-03-13 11:22:04 ver: server
2026-03-13 11:22:04 mode: 11111
2026-03-13 11:22:04 is RNA? 0
2026-03-13 11:22:04 Interface: prot: '' na: ''
2026-03-13 11:22:04 Curr dir:/home/rpdock/web/media/jobs/7b5911c9-e2b9-4b75-b0b6-1fcb80bb1eab/
2026-03-13 11:22:04 GRAMM in progress...
2026-03-13 11:22:04 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb  -pi '' -ri '' -n 1 -pf '*' -rf '*'
2026-03-13 11:57:06 GRAMM done
2026-03-13 11:57:06 DNP scoring in progress...
2026-03-13 11:57:06 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt
2026-03-13 11:57:06 QDV-DNP starts
2026-03-13 11:57:06 Show log every 100 structures
2026-03-13 11:57:06 QUASI-DNP starts
2026-03-13 11:57:07 prot-na_1000.pdb -452365.523932
2026-03-13 11:57:17 prot-na_94.pdb -547042.874663
2026-03-13 11:57:27 prot-na_194.pdb -561429.134929
2026-03-13 11:57:37 prot-na_294.pdb -487412.100394
2026-03-13 11:57:47 prot-na_394.pdb -237696.47122
2026-03-13 11:57:57 prot-na_494.pdb -414092.8155
2026-03-13 11:58:06 prot-na_594.pdb -387723.89163
2026-03-13 11:58:16 prot-na_694.pdb -387967.050842
2026-03-13 11:58:25 prot-na_794.pdb -367607.441497
2026-03-13 11:58:34 prot-na_894.pdb -287765.493425
2026-03-13 11:58:44 prot-na_994.pdb -311090.90356
2026-03-13 11:58:53 prot-na_1100.pdb -524359.037872
2026-03-13 11:59:03 prot-na_1200.pdb -322855.631258
2026-03-13 11:59:12 prot-na_1300.pdb -383255.926262
2026-03-13 11:59:21 prot-na_1400.pdb -473277.162476
2026-03-13 11:59:31 prot-na_1500.pdb -386859.487876
2026-03-13 11:59:41 prot-na_1600.pdb -396601.173929
2026-03-13 11:59:50 prot-na_1700.pdb -547206.190813
2026-03-13 11:59:59 prot-na_1800.pdb -383008.794568
2026-03-13 12:00:09 prot-na_1900.pdb -467919.384453
2026-03-13 12:00:19 prot-na_2000.pdb -325510.282472
2026-03-13 12:00:29 prot-na_2100.pdb -590011.261706
2026-03-13 12:00:39 prot-na_2200.pdb -400329.255724
2026-03-13 12:00:48 prot-na_2300.pdb -522340.382271
2026-03-13 12:00:59 prot-na_2400.pdb -450324.203722
2026-03-13 12:01:08 prot-na_2500.pdb -318137.057061
2026-03-13 12:01:17 prot-na_2600.pdb -526692.544246
2026-03-13 12:01:26 prot-na_2700.pdb -294110.536756
2026-03-13 12:01:36 prot-na_2800.pdb -460120.216477
2026-03-13 12:01:45 prot-na_2900.pdb -253984.244211
2026-03-13 12:01:55 prot-na_3000.pdb -541061.142686
2026-03-13 12:02:04 prot-na_3100.pdb -399315.458575
2026-03-13 12:02:13 prot-na_3200.pdb -493715.590724
2026-03-13 12:02:23 prot-na_3300.pdb -602265.042939
2026-03-13 12:02:32 prot-na_3400.pdb -555270.111333
2026-03-13 12:02:41 prot-na_3500.pdb -329953.972988
2026-03-13 12:02:51 prot-na_3600.pdb -571201.129068
2026-03-13 12:03:00 prot-na_3700.pdb -403085.712046
2026-03-13 12:03:10 prot-na_3800.pdb -236936.076211
2026-03-13 12:03:19 prot-na_3900.pdb -569349.073547
2026-03-13 12:03:28 prot-na_4000.pdb -254918.881145
2026-03-13 12:03:38 prot-na_4100.pdb -211486.988557
2026-03-13 12:03:47 prot-na_4200.pdb -581889.921205
2026-03-13 12:03:57 prot-na_4300.pdb -397291.258981
2026-03-13 12:04:07 prot-na_4400.pdb -442045.632877
2026-03-13 12:04:16 prot-na_4500.pdb -286856.558123
2026-03-13 12:04:26 prot-na_4600.pdb -324079.50663
2026-03-13 12:04:36 prot-na_4700.pdb -538674.39068
2026-03-13 12:04:45 prot-na_4800.pdb -313325.427597
2026-03-13 12:04:55 prot-na_4900.pdb -445421.833244
2026-03-13 12:05:05 prot-na_5000.pdb -434349.423892
2026-03-13 12:05:14 prot-na_5100.pdb -316089.805013
2026-03-13 12:05:24 prot-na_5200.pdb -105344.35661
2026-03-13 12:05:33 prot-na_5300.pdb -367669.088468
2026-03-13 12:05:43 prot-na_5400.pdb -188103.063231
2026-03-13 12:05:52 prot-na_5500.pdb -471585.072194
2026-03-13 12:06:02 prot-na_5600.pdb -323305.149591
2026-03-13 12:06:11 prot-na_5700.pdb -331440.340201
2026-03-13 12:06:20 prot-na_5800.pdb -265510.326406
2026-03-13 12:06:29 prot-na_5900.pdb -580807.018385
2026-03-13 12:06:39 prot-na_6000.pdb -493506.786471
2026-03-13 12:06:48 prot-na_6100.pdb -280501.341531
2026-03-13 12:06:57 prot-na_6200.pdb -391633.444918
2026-03-13 12:07:07 prot-na_6300.pdb -488352.134451
2026-03-13 12:07:16 prot-na_6400.pdb -248334.177775
2026-03-13 12:07:25 prot-na_6500.pdb -311926.300654
2026-03-13 12:07:35 prot-na_6600.pdb -558941.196646
2026-03-13 12:07:44 prot-na_6700.pdb -536055.701337
2026-03-13 12:07:53 prot-na_6800.pdb -429145.270181
2026-03-13 12:08:03 prot-na_6900.pdb -278969.348636
2026-03-13 12:08:12 prot-na_7000.pdb -507358.236871
2026-03-13 12:08:21 prot-na_7100.pdb -573504.896046
2026-03-13 12:08:31 prot-na_7200.pdb -479973.502892
2026-03-13 12:08:40 prot-na_7300.pdb -531373.014633
2026-03-13 12:08:49 prot-na_7400.pdb -493983.644543
2026-03-13 12:08:59 prot-na_7500.pdb -300006.595376
2026-03-13 12:09:08 prot-na_7600.pdb -476002.294476
2026-03-13 12:09:17 prot-na_7700.pdb -432731.873892
2026-03-13 12:09:27 prot-na_7800.pdb -333496.269877
2026-03-13 12:09:36 prot-na_7900.pdb -373080.580844
2026-03-13 12:09:46 prot-na_8000.pdb -496748.961944
2026-03-13 12:09:56 prot-na_8100.pdb -381319.861812
2026-03-13 12:10:06 prot-na_8200.pdb -348787.641203
2026-03-13 12:10:16 prot-na_8300.pdb -339068.878453
2026-03-13 12:10:25 prot-na_8400.pdb -420923.533205
2026-03-13 12:10:35 prot-na_8500.pdb -311388.324258
2026-03-13 12:10:45 prot-na_8600.pdb -628702.158184
2026-03-13 12:10:55 prot-na_8700.pdb -241098.497968
2026-03-13 12:11:04 prot-na_8800.pdb -351906.566858
2026-03-13 12:11:14 prot-na_8900.pdb -577166.882767
2026-03-13 12:11:24 prot-na_9000.pdb -357994.570669
2026-03-13 12:11:33 prot-na_9100.pdb -481999.431524
2026-03-13 12:11:43 prot-na_9200.pdb -462682.812616
2026-03-13 12:11:53 prot-na_9300.pdb -514646.407486
2026-03-13 12:12:03 prot-na_9400.pdb -221839.567372
2026-03-13 12:12:12 prot-na_9500.pdb -506031.195875
2026-03-13 12:12:22 prot-na_9600.pdb -687297.305785
2026-03-13 12:12:32 prot-na_9700.pdb -364355.781353
2026-03-13 12:12:41 prot-na_9800.pdb -462998.784237
2026-03-13 12:12:51 prot-na_9900.pdb -633781.645547
2026-03-13 12:13:01 prot-na_10000.pdb -271364.346083
2026-03-13 12:13:11 prot-na_10100.pdb -547396.179246
2026-03-13 12:13:20 prot-na_10200.pdb -586115.282486
2026-03-13 12:13:30 prot-na_10300.pdb -323916.913989
2026-03-13 12:13:39 prot-na_10400.pdb -438220.850988
2026-03-13 12:13:48 prot-na_10500.pdb -611768.917417
2026-03-13 12:13:58 prot-na_10600.pdb -545340.330915
2026-03-13 12:14:07 prot-na_10700.pdb -388364.327487
2026-03-13 12:14:17 prot-na_10800.pdb -513530.092611
2026-03-13 12:14:26 prot-na_10900.pdb -411027.763677
2026-03-13 12:14:35 prot-na_11000.pdb -294864.865333
2026-03-13 12:14:45 prot-na_11100.pdb -341746.933209
2026-03-13 12:14:54 prot-na_11200.pdb -364104.298285
2026-03-13 12:15:04 prot-na_11300.pdb -325289.942932
2026-03-13 12:15:13 prot-na_11400.pdb -283795.15736
2026-03-13 12:15:22 prot-na_11500.pdb -373198.059974
2026-03-13 12:15:32 prot-na_11600.pdb -463511.924781
2026-03-13 12:15:41 prot-na_11700.pdb -435000.777707
2026-03-13 12:15:51 prot-na_11800.pdb -199184.440138
2026-03-13 12:16:00 prot-na_11900.pdb -301988.549979
2026-03-13 12:16:10 prot-na_12000.pdb -446715.374492
2026-03-13 12:16:19 prot-na_12100.pdb -286315.415212
2026-03-13 12:16:28 prot-na_12200.pdb -352393.215398
2026-03-13 12:16:38 prot-na_12300.pdb -282848.470496
2026-03-13 12:16:47 prot-na_12400.pdb -458695.341262
2026-03-13 12:16:56 prot-na_12500.pdb -321540.110248
2026-03-13 12:17:06 prot-na_12600.pdb -277950.642781
2026-03-13 12:17:15 prot-na_12700.pdb -451609.814884
2026-03-13 12:17:25 prot-na_12800.pdb -481455.798776
2026-03-13 12:17:34 prot-na_12900.pdb -446081.995597
2026-03-13 12:17:43 prot-na_13000.pdb -458347.112616
2026-03-13 12:17:53 prot-na_13100.pdb -340007.624565
2026-03-13 12:18:02 prot-na_13200.pdb -339306.792889
2026-03-13 12:18:12 prot-na_13300.pdb -289614.730263
2026-03-13 12:18:21 prot-na_13400.pdb -464022.880228
2026-03-13 12:18:31 prot-na_13500.pdb -409403.246288
2026-03-13 12:18:41 prot-na_13600.pdb -572388.767475
2026-03-13 12:18:51 prot-na_13700.pdb -221360.958448
2026-03-13 12:19:00 prot-na_13800.pdb -490703.132434
2026-03-13 12:19:10 prot-na_13900.pdb -358287.147898
2026-03-13 12:19:20 prot-na_14000.pdb -353983.397963
2026-03-13 12:19:29 prot-na_14100.pdb -300020.573256
2026-03-13 12:19:39 prot-na_14200.pdb -544014.455838
2026-03-13 12:19:49 prot-na_14300.pdb -555504.090572
2026-03-13 12:19:59 prot-na_14400.pdb -233350.456508
2026-03-13 12:20:09 prot-na_14500.pdb -344449.60531
2026-03-13 12:20:19 prot-na_14600.pdb -337760.859017
2026-03-13 12:20:28 prot-na_14700.pdb -322712.432938
2026-03-13 12:20:38 prot-na_14800.pdb -477362.773582
2026-03-13 12:20:48 prot-na_14900.pdb -525048.852717
2026-03-13 12:20:58 prot-na_15000.pdb -366210.656223
2026-03-13 12:21:08 prot-na_15100.pdb -358156.777768
2026-03-13 12:21:17 prot-na_15200.pdb -215116.2439
2026-03-13 12:21:27 prot-na_15300.pdb -513084.076567
2026-03-13 12:21:37 prot-na_15400.pdb -249656.455265
2026-03-13 12:21:47 prot-na_15500.pdb -399595.762105
2026-03-13 12:21:56 prot-na_15600.pdb -293243.67239
2026-03-13 12:22:06 prot-na_15700.pdb -446410.914024
2026-03-13 12:22:16 prot-na_15800.pdb -186967.00113
2026-03-13 12:22:25 prot-na_15900.pdb -369459.436257
2026-03-13 12:22:35 prot-na_16000.pdb -145176.032277
2026-03-13 12:22:45 prot-na_16100.pdb -449540.918495
2026-03-13 12:22:55 prot-na_16200.pdb -349443.987951
2026-03-13 12:23:04 prot-na_16300.pdb -231887.709913
2026-03-13 12:23:14 prot-na_16400.pdb -300502.110481
2026-03-13 12:23:24 prot-na_16500.pdb -374217.960829
2026-03-13 12:23:33 prot-na_16600.pdb -341291.461079
2026-03-13 12:23:43 prot-na_16700.pdb -168626.94478
2026-03-13 12:23:52 prot-na_16800.pdb -422843.896813
2026-03-13 12:24:02 prot-na_16900.pdb -297971.036867
2026-03-13 12:24:11 prot-na_17000.pdb -230820.184483
2026-03-13 12:24:21 prot-na_17100.pdb -335839.423742
2026-03-13 12:24:30 prot-na_17200.pdb -401618.211568
2026-03-13 12:24:40 prot-na_17300.pdb -346127.9846
2026-03-13 12:24:49 prot-na_17400.pdb -483607.690072
2026-03-13 12:24:58 prot-na_17500.pdb -417327.867378
2026-03-13 12:25:08 prot-na_17600.pdb -256043.101064
2026-03-13 12:25:17 prot-na_17700.pdb -435942.890295
2026-03-13 12:25:26 prot-na_17800.pdb -284383.694204
2026-03-13 12:25:36 prot-na_17900.pdb -407838.683802
2026-03-13 12:25:46 prot-na_18000.pdb -127316.137725
2026-03-13 12:25:55 prot-na_18100.pdb -324064.84205
2026-03-13 12:26:05 prot-na_18200.pdb -237923.442552
2026-03-13 12:26:14 prot-na_18300.pdb -302926.524963
2026-03-13 12:26:23 prot-na_18400.pdb -432061.884235
2026-03-13 12:26:32 prot-na_18500.pdb -348118.769672
2026-03-13 12:26:42 prot-na_18600.pdb -254749.034576
2026-03-13 12:26:51 prot-na_18700.pdb -399777.21799
2026-03-13 12:27:01 prot-na_18800.pdb -576501.92929
2026-03-13 12:27:10 prot-na_18900.pdb -407653.291505
2026-03-13 12:27:19 prot-na_19000.pdb -403922.820401
2026-03-13 12:27:29 prot-na_19100.pdb -397135.52736
2026-03-13 12:27:38 prot-na_19200.pdb -182894.252305
2026-03-13 12:27:48 prot-na_19300.pdb -461563.005043
2026-03-13 12:27:57 prot-na_19400.pdb -532704.632221
2026-03-13 12:28:06 prot-na_19500.pdb -363929.743519
2026-03-13 12:28:15 prot-na_19600.pdb -359194.991487
2026-03-13 12:28:25 prot-na_19700.pdb -562578.367675
2026-03-13 12:28:34 prot-na_19800.pdb -337532.929626
2026-03-13 12:28:43 prot-na_19900.pdb -314397.71115
2026-03-13 12:28:53 prot-na_20000.pdb -416920.270899
2026-03-13 12:28:53 Varani starts
2026-03-13 12:28:53 prot-na_1000.pdb 304.72
2026-03-13 12:29:11 prot-na_94.pdb 500.304
2026-03-13 12:29:29 prot-na_194.pdb 566.036
2026-03-13 12:29:47 prot-na_294.pdb 546.784
2026-03-13 12:30:06 prot-na_394.pdb 685.633
2026-03-13 12:30:24 prot-na_494.pdb 215.017
2026-03-13 12:30:42 prot-na_594.pdb 508.026
2026-03-13 12:31:00 prot-na_694.pdb 447.854
2026-03-13 12:31:18 prot-na_794.pdb 573.834
2026-03-13 12:31:37 prot-na_894.pdb 410.107
2026-03-13 12:31:56 prot-na_994.pdb 229.579
2026-03-13 12:32:14 prot-na_1100.pdb 646.032
2026-03-13 12:32:31 prot-na_1200.pdb 581.715
2026-03-13 12:32:49 prot-na_1300.pdb 561.686
2026-03-13 12:33:08 prot-na_1400.pdb 442.378
2026-03-13 12:33:26 prot-na_1500.pdb 490.903
2026-03-13 12:33:44 prot-na_1600.pdb 318.999
2026-03-13 12:34:02 prot-na_1700.pdb 627.081
2026-03-13 12:34:20 prot-na_1800.pdb 391.043
2026-03-13 12:34:38 prot-na_1900.pdb 452.184
2026-03-13 12:34:56 prot-na_2000.pdb 944.581
2026-03-13 12:35:15 prot-na_2100.pdb 438.577
2026-03-13 12:35:33 prot-na_2200.pdb 516.904
2026-03-13 12:35:51 prot-na_2300.pdb 243.657
2026-03-13 12:36:09 prot-na_2400.pdb 339.628
2026-03-13 12:36:27 prot-na_2500.pdb 565.241
2026-03-13 12:36:46 prot-na_2600.pdb 118.817
2026-03-13 12:37:04 prot-na_2700.pdb 784.712
2026-03-13 12:37:22 prot-na_2800.pdb 235.678
2026-03-13 12:37:41 prot-na_2900.pdb 483.025
2026-03-13 12:37:59 prot-na_3000.pdb 197.664
2026-03-13 12:38:17 prot-na_3100.pdb 292.324
2026-03-13 12:38:35 prot-na_3200.pdb 428.877
2026-03-13 12:38:53 prot-na_3300.pdb 791.821
2026-03-13 12:39:11 prot-na_3400.pdb 717.733
2026-03-13 12:39:30 prot-na_3500.pdb 404.96
2026-03-13 12:39:48 prot-na_3600.pdb 318.962
2026-03-13 12:40:06 prot-na_3700.pdb 194.559
2026-03-13 12:40:24 prot-na_3800.pdb 325.234
2026-03-13 12:40:43 prot-na_3900.pdb 540.043
2026-03-13 12:41:01 prot-na_4000.pdb 247.549
2026-03-13 12:41:19 prot-na_4100.pdb 348.607
2026-03-13 12:41:37 prot-na_4200.pdb 230.421
2026-03-13 12:41:55 prot-na_4300.pdb 528.613
2026-03-13 12:42:13 prot-na_4400.pdb 254.191
2026-03-13 12:42:31 prot-na_4500.pdb 294.116
2026-03-13 12:42:49 prot-na_4600.pdb 496.824
2026-03-13 12:43:07 prot-na_4700.pdb 338.059
2026-03-13 12:43:26 prot-na_4800.pdb 259.451
2026-03-13 12:43:44 prot-na_4900.pdb 256.106
2026-03-13 12:44:02 prot-na_5000.pdb 665.422
2026-03-13 12:44:20 prot-na_5100.pdb 482.317
2026-03-13 12:44:38 prot-na_5200.pdb 742.286
2026-03-13 12:44:56 prot-na_5300.pdb 177.317
2026-03-13 12:45:14 prot-na_5400.pdb 278.705
2026-03-13 12:45:32 prot-na_5500.pdb 288.407
2026-03-13 12:45:51 prot-na_5600.pdb 328.107
2026-03-13 12:46:09 prot-na_5700.pdb 332.024
2026-03-13 12:46:27 prot-na_5800.pdb 481.684
2026-03-13 12:46:45 prot-na_5900.pdb 576.642
2026-03-13 12:47:03 prot-na_6000.pdb 281.308
2026-03-13 12:47:21 prot-na_6100.pdb 302.48
2026-03-13 12:47:38 prot-na_6200.pdb 317.443
2026-03-13 12:47:56 prot-na_6300.pdb 378.195
2026-03-13 12:48:14 prot-na_6400.pdb 152.719
2026-03-13 12:48:32 prot-na_6500.pdb 293.93
2026-03-13 12:48:50 prot-na_6600.pdb 639.25
2026-03-13 12:49:09 prot-na_6700.pdb 460.347
2026-03-13 12:49:27 prot-na_6800.pdb 354.771
2026-03-13 12:49:45 prot-na_6900.pdb 227.224
2026-03-13 12:50:03 prot-na_7000.pdb 455.515
2026-03-13 12:50:22 prot-na_7100.pdb 340.698
2026-03-13 12:50:40 prot-na_7200.pdb 344.524
2026-03-13 12:50:58 prot-na_7300.pdb 426.726
2026-03-13 12:51:16 prot-na_7400.pdb 455.677
2026-03-13 12:51:35 prot-na_7500.pdb 323.873
2026-03-13 12:51:53 prot-na_7600.pdb 7.794
2026-03-13 12:52:11 prot-na_7700.pdb 621.335
2026-03-13 12:52:29 prot-na_7800.pdb 345.159
2026-03-13 12:52:48 prot-na_7900.pdb 54.684
2026-03-13 12:53:06 prot-na_8000.pdb 178.506
2026-03-13 12:53:24 prot-na_8100.pdb 374.336
2026-03-13 12:53:42 prot-na_8200.pdb 475.277
2026-03-13 12:54:00 prot-na_8300.pdb 262.678
2026-03-13 12:54:19 prot-na_8400.pdb 275.839
2026-03-13 12:54:37 prot-na_8500.pdb 524.219
2026-03-13 12:54:55 prot-na_8600.pdb 165.326
2026-03-13 12:55:13 prot-na_8700.pdb 315.325
2026-03-13 12:55:31 prot-na_8800.pdb 378.888
2026-03-13 12:55:50 prot-na_8900.pdb 494.193
2026-03-13 12:56:08 prot-na_9000.pdb 219.378
2026-03-13 12:56:26 prot-na_9100.pdb 509.097
2026-03-13 12:56:44 prot-na_9200.pdb 269.594
2026-03-13 12:57:02 prot-na_9300.pdb 551.388
2026-03-13 12:57:20 prot-na_9400.pdb 208.917
2026-03-13 12:57:38 prot-na_9500.pdb 320.961
2026-03-13 12:57:56 prot-na_9600.pdb 631.774
2026-03-13 12:58:15 prot-na_9700.pdb 532.202
2026-03-13 12:58:33 prot-na_9800.pdb 673.804
2026-03-13 12:58:51 prot-na_9900.pdb 426.949
2026-03-13 12:59:10 prot-na_10000.pdb 426.048
2026-03-13 12:59:28 prot-na_10100.pdb 216.1
2026-03-13 12:59:47 prot-na_10200.pdb 130.295
2026-03-13 13:00:05 prot-na_10300.pdb 584.434
2026-03-13 13:00:23 prot-na_10400.pdb 359.688
2026-03-13 13:00:42 prot-na_10500.pdb 695.325
2026-03-13 13:01:00 prot-na_10600.pdb 210.145
2026-03-13 13:01:18 prot-na_10700.pdb 310.377
2026-03-13 13:01:36 prot-na_10800.pdb 791.668
2026-03-13 13:01:55 prot-na_10900.pdb 537.703
2026-03-13 13:02:13 prot-na_11000.pdb 454.4
2026-03-13 13:02:32 prot-na_11100.pdb 252.179
2026-03-13 13:02:50 prot-na_11200.pdb 358.549
2026-03-13 13:03:08 prot-na_11300.pdb 260.672
2026-03-13 13:03:27 prot-na_11400.pdb 332.738
2026-03-13 13:03:45 prot-na_11500.pdb 473.205
2026-03-13 13:04:03 prot-na_11600.pdb 249.666
2026-03-13 13:04:22 prot-na_11700.pdb 658.84
2026-03-13 13:04:40 prot-na_11800.pdb 310.86
2026-03-13 13:04:59 prot-na_11900.pdb 542.688
2026-03-13 13:05:18 prot-na_12000.pdb 266.562
2026-03-13 13:05:35 prot-na_12100.pdb 519.341
2026-03-13 13:05:54 prot-na_12200.pdb 477.949
2026-03-13 13:06:12 prot-na_12300.pdb 382.358
2026-03-13 13:06:31 prot-na_12400.pdb 665.113
2026-03-13 13:06:49 prot-na_12500.pdb 333.877
2026-03-13 13:07:08 prot-na_12600.pdb 349.619
2026-03-13 13:07:26 prot-na_12700.pdb 370.668
2026-03-13 13:07:44 prot-na_12800.pdb 374.619
2026-03-13 13:08:03 prot-na_12900.pdb 706.001
2026-03-13 13:08:21 prot-na_13000.pdb 302.091
2026-03-13 13:08:39 prot-na_13100.pdb 214.365
2026-03-13 13:08:58 prot-na_13200.pdb 391.514
2026-03-13 13:09:16 prot-na_13300.pdb 478.139
2026-03-13 13:09:34 prot-na_13400.pdb 160.684
2026-03-13 13:09:53 prot-na_13500.pdb 126.012
2026-03-13 13:10:11 prot-na_13600.pdb 423.171
2026-03-13 13:10:30 prot-na_13700.pdb 204.126
2026-03-13 13:10:48 prot-na_13800.pdb 158.005
2026-03-13 13:11:07 prot-na_13900.pdb 226.827
2026-03-13 13:11:25 prot-na_14000.pdb 213.697
2026-03-13 13:11:43 prot-na_14100.pdb 244.322
2026-03-13 13:12:01 prot-na_14200.pdb 267.746
2026-03-13 13:12:20 prot-na_14300.pdb 766.833
2026-03-13 13:12:38 prot-na_14400.pdb 316.46
2026-03-13 13:12:56 prot-na_14500.pdb 242.61
2026-03-13 13:13:14 prot-na_14600.pdb 288.103
2026-03-13 13:13:33 prot-na_14700.pdb 719.226
2026-03-13 13:13:51 prot-na_14800.pdb 334.963
2026-03-13 13:14:09 prot-na_14900.pdb 292.425
2026-03-13 13:14:28 prot-na_15000.pdb 989.878
2026-03-13 13:14:47 prot-na_15100.pdb 394.027
2026-03-13 13:15:06 prot-na_15200.pdb 363.604
2026-03-13 13:15:24 prot-na_15300.pdb 27.027
2026-03-13 13:15:42 prot-na_15400.pdb 148.887
2026-03-13 13:16:00 prot-na_15500.pdb 277.792
2026-03-13 13:16:02 [..]ning: atom type G_O3P has no defined score type.
.226
msg prot-na_14800.pdb 334.963
msg prot-na_14900.pdb 292.425
msg prot-na_15000.pdb 989.878
msg prot-na_15100.pdb 394.027
msg prot-na_15200.pdb 363.604
msg prot-na_15300.pdb 27.027
msg prot-na_15400.pdb 148.887
msg prot-na_15500.pdb 277.792
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
4260.70user 398.59system 1:18:55elapsed 98%CPU (0avgtext+0avgdata 214440maxresident)k
10320inputs+6451584outputs (23major+46569655minor)pagefaults 0swaps