2026-02-25 10:48:02 NPdock start
2026-02-25 10:48:02 ver: server
2026-02-25 10:48:02 mode: 11111
2026-02-25 10:48:02 is RNA? 0
2026-02-25 10:48:02 Interface: prot: '' na: ''
2026-02-25 10:48:02 Curr dir:/home/rpdock/web/media/jobs/47024cd7-f6de-4299-af1a-8da840fea634/
2026-02-25 10:48:02 GRAMM in progress...
2026-02-25 10:48:02 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb  -pi '' -ri '' -n 1 -pf 'B' -rf '*'
2026-02-25 11:26:08 GRAMM done
2026-02-25 11:26:08 DNP scoring in progress...
2026-02-25 11:26:09 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt
2026-02-25 11:26:09 QDV-DNP starts
2026-02-25 11:26:09 Show log every 100 structures
2026-02-25 11:26:09 QUASI-DNP starts
2026-02-25 11:26:09 na-prot_1000.pdb -379307.54397
2026-02-25 11:26:33 na-prot_94.pdb -507587.2118
2026-02-25 11:26:58 na-prot_194.pdb -527317.648442
2026-02-25 11:27:23 na-prot_294.pdb -488413.371452
2026-02-25 11:27:48 na-prot_394.pdb -700639.334852
2026-02-25 11:28:14 na-prot_494.pdb -495590.77902
2026-02-25 11:28:39 na-prot_594.pdb -313871.212368
2026-02-25 11:29:05 na-prot_694.pdb -391862.823607
2026-02-25 11:29:31 na-prot_794.pdb -501786.206981
2026-02-25 11:29:58 na-prot_894.pdb -574431.686432
2026-02-25 11:30:25 na-prot_994.pdb -486243.566789
2026-02-25 11:30:52 na-prot_1100.pdb -383813.184928
2026-02-25 11:31:19 na-prot_1200.pdb -446956.852498
2026-02-25 11:31:45 na-prot_1300.pdb -387933.160097
2026-02-25 11:32:11 na-prot_1400.pdb -292289.18761
2026-02-25 11:32:38 na-prot_1500.pdb -288729.275913
2026-02-25 11:33:04 na-prot_1600.pdb -412240.734166
2026-02-25 11:33:30 na-prot_1700.pdb -371348.052528
2026-02-25 11:33:56 na-prot_1800.pdb -377939.035494
2026-02-25 11:34:23 na-prot_1900.pdb -305401.779306
2026-02-25 11:34:50 na-prot_1999.pdb -314704.631994
2026-02-25 11:35:18 na-prot_2099.pdb -408042.910107
2026-02-25 11:35:45 na-prot_2200.pdb -712614.279835
2026-02-25 11:36:13 na-prot_2300.pdb -352173.004182
2026-02-25 11:36:39 na-prot_2400.pdb -492472.865225
2026-02-25 11:37:07 na-prot_2500.pdb -384839.090803
2026-02-25 11:37:36 na-prot_2600.pdb -377404.600561
2026-02-25 11:38:03 na-prot_2700.pdb -314386.159563
2026-02-25 11:38:29 na-prot_2800.pdb -282894.327817
2026-02-25 11:38:54 na-prot_2900.pdb -456767.627197
2026-02-25 11:39:20 na-prot_3000.pdb -460163.034054
2026-02-25 11:39:46 na-prot_3100.pdb -420873.494261
2026-02-25 11:40:12 na-prot_3200.pdb -400054.212411
2026-02-25 11:40:37 na-prot_3300.pdb -257478.617502
2026-02-25 11:41:03 na-prot_3400.pdb -643712.935169
2026-02-25 11:41:28 na-prot_3500.pdb -406137.605263
2026-02-25 11:41:54 na-prot_3600.pdb -391301.511675
2026-02-25 11:42:20 na-prot_3700.pdb -509234.541108
2026-02-25 11:42:46 na-prot_3800.pdb -206910.727778
2026-02-25 11:43:12 na-prot_3900.pdb -844975.782642
2026-02-25 11:43:38 na-prot_4000.pdb -276631.132268
2026-02-25 11:44:04 na-prot_4100.pdb -256320.448315
2026-02-25 11:44:30 na-prot_4200.pdb -347931.976688
2026-02-25 11:44:56 na-prot_4300.pdb -276647.143024
2026-02-25 11:45:22 na-prot_4400.pdb -605973.140529
2026-02-25 11:45:48 na-prot_4500.pdb -369710.85554
2026-02-25 11:46:15 na-prot_4600.pdb -639100.485584
2026-02-25 11:46:41 na-prot_4700.pdb -587728.273491
2026-02-25 11:47:07 na-prot_4800.pdb -492951.999738
2026-02-25 11:47:33 na-prot_4900.pdb -489305.130811
2026-02-25 11:48:00 na-prot_5000.pdb -473291.173136
2026-02-25 11:48:26 na-prot_5100.pdb -373602.508953
2026-02-25 11:48:52 na-prot_5200.pdb -228310.29189
2026-02-25 11:49:18 na-prot_5300.pdb -436318.939655
2026-02-25 11:49:45 na-prot_5400.pdb -335369.65395
2026-02-25 11:50:12 na-prot_5500.pdb -332459.607167
2026-02-25 11:50:38 na-prot_5600.pdb -242449.962854
2026-02-25 11:51:05 na-prot_5700.pdb -179467.227618
2026-02-25 11:51:32 na-prot_5800.pdb -175141.47841
2026-02-25 11:51:58 na-prot_5900.pdb -451411.396269
2026-02-25 11:52:25 na-prot_6000.pdb -285026.031371
2026-02-25 11:52:52 na-prot_6100.pdb -338813.8784
2026-02-25 11:53:20 na-prot_6200.pdb -359827.368571
2026-02-25 11:53:47 na-prot_6300.pdb -465551.27543
2026-02-25 11:54:13 na-prot_6400.pdb -441925.145371
2026-02-25 11:54:39 na-prot_6500.pdb -852872.275718
2026-02-25 11:55:06 na-prot_6600.pdb -316179.812954
2026-02-25 11:55:34 na-prot_6700.pdb -498993.890392
2026-02-25 11:56:01 na-prot_6800.pdb -385120.389962
2026-02-25 11:56:28 na-prot_6900.pdb -312190.908436
2026-02-25 11:56:54 na-prot_7000.pdb -350371.707199
2026-02-25 11:57:20 na-prot_7100.pdb -251480.623244
2026-02-25 11:57:48 na-prot_7200.pdb -703146.343141
2026-02-25 11:58:16 na-prot_7300.pdb -447448.555953
2026-02-25 11:58:43 na-prot_7400.pdb -277971.309377
2026-02-25 11:59:11 na-prot_7500.pdb -495898.779936
2026-02-25 11:59:36 na-prot_7600.pdb -645339.442936
2026-02-25 12:00:03 na-prot_7700.pdb -387998.677049
2026-02-25 12:00:30 na-prot_7800.pdb -519396.849614
2026-02-25 12:00:58 na-prot_7900.pdb -398509.078441
2026-02-25 12:01:26 na-prot_8000.pdb -515430.810623
2026-02-25 12:01:54 na-prot_8100.pdb -324237.088512
2026-02-25 12:02:21 na-prot_8200.pdb -151341.697998
2026-02-25 12:02:48 na-prot_8300.pdb -301591.940999
2026-02-25 12:03:15 na-prot_8400.pdb -359633.406136
2026-02-25 12:03:43 na-prot_8500.pdb -258864.393648
2026-02-25 12:04:10 na-prot_8600.pdb -553807.131755
2026-02-25 12:04:38 na-prot_8700.pdb -423247.05711
2026-02-25 12:05:05 na-prot_8800.pdb -216771.232962
2026-02-25 12:05:33 na-prot_8900.pdb -356711.407614
2026-02-25 12:05:59 na-prot_9000.pdb -242589.196976
2026-02-25 12:06:27 na-prot_9100.pdb -379087.852757
2026-02-25 12:06:55 na-prot_9200.pdb -442965.924164
2026-02-25 12:07:23 na-prot_9300.pdb -536709.189735
2026-02-25 12:07:51 na-prot_9400.pdb -369488.342589
2026-02-25 12:08:18 na-prot_9500.pdb -426186.624976
2026-02-25 12:08:45 na-prot_9600.pdb -514742.257743
2026-02-25 12:09:12 na-prot_9700.pdb -403728.298157
2026-02-25 12:09:38 na-prot_9800.pdb -170489.974486
2026-02-25 12:10:05 na-prot_9900.pdb -337062.40432
2026-02-25 12:10:31 na-prot_9999.pdb -331974.356914
2026-02-25 12:10:58 na-prot_10100.pdb -291015.169939
2026-02-25 12:11:26 na-prot_10200.pdb -430965.330309
2026-02-25 12:11:52 na-prot_10300.pdb -359364.512149
2026-02-25 12:12:18 na-prot_10400.pdb -259555.256454
2026-02-25 12:12:45 na-prot_10500.pdb -337648.745289
2026-02-25 12:13:12 na-prot_10600.pdb -313800.965845
2026-02-25 12:13:40 na-prot_10700.pdb -710710.863645
2026-02-25 12:14:08 na-prot_10800.pdb -425799.354843
2026-02-25 12:14:35 na-prot_10900.pdb -515548.949534
2026-02-25 12:15:02 na-prot_11000.pdb -512518.947465
2026-02-25 12:15:28 na-prot_11100.pdb -387722.851929
2026-02-25 12:15:55 na-prot_11200.pdb -278997.241075
2026-02-25 12:16:24 na-prot_11300.pdb -352623.453736
2026-02-25 12:16:52 na-prot_11400.pdb -198014.607959
2026-02-25 12:17:20 na-prot_11500.pdb -432940.725141
2026-02-25 12:17:46 na-prot_11600.pdb -301262.303447
2026-02-25 12:18:13 na-prot_11700.pdb -420115.068781
2026-02-25 12:18:40 na-prot_11800.pdb -510734.99735
2026-02-25 12:19:11 na-prot_11900.pdb -531341.488007
2026-02-25 12:19:41 na-prot_12000.pdb -243567.301835
2026-02-25 12:20:09 na-prot_12100.pdb -428519.523555
2026-02-25 12:20:35 na-prot_12200.pdb -313223.942517
2026-02-25 12:21:03 na-prot_12300.pdb -341209.198568
2026-02-25 12:21:31 na-prot_12400.pdb -330022.711157
2026-02-25 12:21:58 na-prot_12500.pdb -317631.926762
2026-02-25 12:22:25 na-prot_12600.pdb -149000.71149
2026-02-25 12:22:53 na-prot_12700.pdb -436410.755486
2026-02-25 12:23:21 na-prot_12800.pdb -140418.030164
2026-02-25 12:23:48 na-prot_12900.pdb -556271.003339
2026-02-25 12:24:15 na-prot_13000.pdb -100376.250706
2026-02-25 12:24:41 na-prot_13100.pdb -181016.097193
2026-02-25 12:25:08 na-prot_13200.pdb -350299.701718
2026-02-25 12:25:34 na-prot_13300.pdb -295816.946768
2026-02-25 12:26:01 na-prot_13400.pdb -275628.3786
2026-02-25 12:26:29 na-prot_13500.pdb -535742.211779
2026-02-25 12:26:55 na-prot_13600.pdb -432114.842515
2026-02-25 12:27:22 na-prot_13700.pdb -403949.587814
2026-02-25 12:27:48 na-prot_13800.pdb -330185.452264
2026-02-25 12:28:15 na-prot_13900.pdb -283781.798701
2026-02-25 12:28:42 na-prot_14000.pdb -351941.187272
2026-02-25 12:29:10 na-prot_14100.pdb -345357.340459
2026-02-25 12:29:37 na-prot_14200.pdb -408656.419633
2026-02-25 12:30:05 na-prot_14300.pdb -287007.163058
2026-02-25 12:30:31 na-prot_14400.pdb -309216.75923
2026-02-25 12:30:58 na-prot_14500.pdb -353231.587341
2026-02-25 12:31:24 na-prot_14600.pdb -275175.633861
2026-02-25 12:31:52 na-prot_14700.pdb -322848.27264
2026-02-25 12:32:21 na-prot_14800.pdb -361121.208984
2026-02-25 12:32:51 na-prot_14900.pdb -372550.826395
2026-02-25 12:33:19 na-prot_15000.pdb -82192.6262295
2026-02-25 12:33:46 na-prot_15100.pdb -383447.340753
2026-02-25 12:34:12 na-prot_15200.pdb -330002.794689
2026-02-25 12:34:39 na-prot_15300.pdb -571926.564841
2026-02-25 12:35:09 na-prot_15400.pdb -258733.745142
2026-02-25 12:35:38 na-prot_15500.pdb -453112.703419
2026-02-25 12:36:06 na-prot_15600.pdb -563544.338298
2026-02-25 12:36:35 na-prot_15700.pdb -448957.966399
2026-02-25 12:37:02 na-prot_15800.pdb -396052.672261
2026-02-25 12:37:29 na-prot_15900.pdb -304839.827771
2026-02-25 12:37:57 na-prot_16000.pdb -405056.645441
2026-02-25 12:38:25 na-prot_16100.pdb -443416.340012
2026-02-25 12:38:54 na-prot_16200.pdb -365056.770712
2026-02-25 12:39:23 na-prot_16300.pdb -477825.444501
2026-02-25 12:39:51 na-prot_16400.pdb -316429.147198
2026-02-25 12:40:20 na-prot_16500.pdb -443400.390977
2026-02-25 12:40:47 na-prot_16600.pdb -331052.787454
2026-02-25 12:41:14 na-prot_16700.pdb -344044.548988
2026-02-25 12:41:45 na-prot_16800.pdb -280677.591801
2026-02-25 12:42:14 na-prot_16900.pdb -301438.370939
2026-02-25 12:42:44 na-prot_17000.pdb -341661.444203
2026-02-25 12:43:12 na-prot_17100.pdb -317362.630672
2026-02-25 12:43:41 na-prot_17200.pdb -617416.707532
2026-02-25 12:44:09 na-prot_17300.pdb -419606.356332
2026-02-25 12:44:36 na-prot_17400.pdb -198220.130902
2026-02-25 12:45:03 na-prot_17500.pdb -352841.766121
2026-02-25 12:45:33 na-prot_17600.pdb -382743.525149
2026-02-25 12:46:05 na-prot_17700.pdb -236371.967901
2026-02-25 12:46:35 na-prot_17799.pdb -307210.000613
2026-02-25 12:47:04 na-prot_17899.pdb -233081.419347
2026-02-25 12:47:33 na-prot_18000.pdb -191899.914198
2026-02-25 12:48:02 na-prot_18100.pdb -140984.662439
2026-02-25 12:48:30 na-prot_18200.pdb -508897.675351
2026-02-25 12:49:02 na-prot_18300.pdb -333128.705502
2026-02-25 12:49:33 na-prot_18400.pdb -374989.031283
2026-02-25 12:50:02 na-prot_18500.pdb -259580.927507
2026-02-25 12:50:32 na-prot_18600.pdb -607653.498816
2026-02-25 12:51:02 na-prot_18700.pdb -172043.136221
2026-02-25 12:51:32 na-prot_18800.pdb -300428.230556
2026-02-25 12:52:01 na-prot_18900.pdb -353796.104395
2026-02-25 12:52:31 na-prot_19000.pdb -161663.083441
2026-02-25 12:52:59 na-prot_19100.pdb -369441.989703
2026-02-25 12:53:27 na-prot_19200.pdb -160352.616905
2026-02-25 12:53:54 na-prot_19300.pdb -292815.31356
2026-02-25 12:54:21 na-prot_19400.pdb -586850.791023
2026-02-25 12:54:50 na-prot_19500.pdb -409919.895455
2026-02-25 12:55:19 na-prot_19600.pdb -251950.149487
2026-02-25 12:55:47 na-prot_19700.pdb -350272.568778
2026-02-25 12:56:16 na-prot_19800.pdb -489327.865804
2026-02-25 12:56:44 na-prot_19900.pdb -412039.950728
2026-02-25 12:57:13 na-prot_20000.pdb -281566.357385
2026-02-25 12:57:13 Varani starts
2026-02-25 12:57:14 na-prot_1000.pdb 124.09
2026-02-25 12:59:03 na-prot_94.pdb 119.91
2026-02-25 13:00:54 na-prot_194.pdb 58.933
2026-02-25 13:02:45 na-prot_294.pdb 175.279
2026-02-25 13:04:36 na-prot_394.pdb 180.068
2026-02-25 13:06:27 na-prot_494.pdb 150.292
2026-02-25 13:08:19 na-prot_594.pdb 66.573
2026-02-25 13:10:09 na-prot_694.pdb 160.29
2026-02-25 13:12:01 na-prot_794.pdb 143.211
2026-02-25 13:13:51 na-prot_894.pdb 355.552
2026-02-25 13:15:42 na-prot_994.pdb 74.505
2026-02-25 13:17:33 na-prot_1100.pdb 88.285
2026-02-25 13:19:23 na-prot_1200.pdb 310.898
2026-02-25 13:21:14 na-prot_1300.pdb 138.561
2026-02-25 13:23:06 na-prot_1400.pdb 86.951
2026-02-25 13:24:57 na-prot_1500.pdb 162.656
2026-02-25 13:26:48 na-prot_1600.pdb 363.098
2026-02-25 13:28:39 na-prot_1700.pdb 38.96
2026-02-25 13:30:30 na-prot_1800.pdb 38.162
2026-02-25 13:32:21 na-prot_1900.pdb 135.238
2026-02-25 13:34:12 na-prot_1999.pdb 274.027
2026-02-25 13:36:03 na-prot_2099.pdb 134.927
2026-02-25 13:37:53 na-prot_2200.pdb 200.515
2026-02-25 13:39:44 na-prot_2300.pdb 193.732
2026-02-25 13:41:35 na-prot_2400.pdb 199.664
2026-02-25 13:43:27 na-prot_2500.pdb 194.344
2026-02-25 13:45:18 na-prot_2600.pdb 243.025
2026-02-25 13:47:09 na-prot_2700.pdb 99.008
2026-02-25 13:48:59 na-prot_2800.pdb 237.339
2026-02-25 13:50:50 na-prot_2900.pdb 26.764
2026-02-25 13:52:41 na-prot_3000.pdb 127.38
2026-02-25 13:54:32 na-prot_3100.pdb 189.235
2026-02-25 13:56:24 na-prot_3200.pdb 151.452
2026-02-25 13:58:15 na-prot_3300.pdb 220.502
2026-02-25 14:00:02 [..]32
msg na-prot_2400.pdb 199.664
msg na-prot_2500.pdb 194.344
msg na-prot_2600.pdb 243.025
msg na-prot_2700.pdb 99.008
msg na-prot_2800.pdb 237.339
msg na-prot_2900.pdb 26.764
msg na-prot_3000.pdb 127.38
msg na-prot_3100.pdb 189.235
msg na-prot_3200.pdb 151.452
msg na-prot_3300.pdb 220.502
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
9021.50user 124.13system 2:33:52elapsed 99%CPU (0avgtext+0avgdata 220292maxresident)k
13070464inputs+3859008outputs (24major+19616901minor)pagefaults 0swaps