2026-04-28 09:26:03 NPdock start
2026-04-28 09:26:03 ver: server
2026-04-28 09:26:03 mode: 11111
2026-04-28 09:26:03 is RNA? 0
2026-04-28 09:26:03 Interface: prot: '' na: ''
2026-04-28 09:26:03 Curr dir:/home/rpdock/web/media/jobs/ffc45853-d324-434d-b99c-de7db7290381/
2026-04-28 09:26:03 GRAMM in progress...
2026-04-28 09:26:03 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb  -pi '' -ri '' -n 1 -pf '*' -rf '*'
2026-04-28 10:41:19 GRAMM done
2026-04-28 10:41:19 DNP scoring in progress...
2026-04-28 10:41:19 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt
2026-04-28 10:41:20 QDV-DNP starts
2026-04-28 10:41:20 Show log every 100 structures
2026-04-28 10:41:20 QUASI-DNP starts
2026-04-28 10:41:21 prot-na_1000.pdb -87475.1478188
2026-04-28 10:42:18 prot-na_94.pdb -116098.028572
2026-04-28 10:43:18 prot-na_194.pdb -14417.2810597
2026-04-28 10:44:19 prot-na_294.pdb 4561.01861435
2026-04-28 10:45:20 prot-na_394.pdb -97386.1921404
2026-04-28 10:46:22 prot-na_494.pdb -55460.5515888
2026-04-28 10:47:25 prot-na_594.pdb -104118.261985
2026-04-28 10:48:29 prot-na_694.pdb -91041.51498
2026-04-28 10:49:32 prot-na_794.pdb -39824.4579958
2026-04-28 10:50:37 prot-na_894.pdb 23995.8389645
2026-04-28 10:51:42 prot-na_994.pdb 806.950264315
2026-04-28 10:52:47 prot-na_1100.pdb -50028.0066068
2026-04-28 10:53:52 prot-na_1200.pdb -107852.100222
2026-04-28 10:54:56 prot-na_1300.pdb -67731.3186872
2026-04-28 10:56:00 prot-na_1400.pdb 15588.4863356
2026-04-28 10:57:05 prot-na_1500.pdb -77911.3938926
2026-04-28 10:58:10 prot-na_1600.pdb -47119.7523543
2026-04-28 10:59:15 prot-na_1700.pdb 71854.185813
2026-04-28 11:00:19 prot-na_1800.pdb -18523.3396584
2026-04-28 11:01:24 prot-na_1900.pdb -37267.9753233
2026-04-28 11:02:29 prot-na_2000.pdb -118299.946545
2026-04-28 11:03:34 prot-na_2100.pdb -128116.626058
2026-04-28 11:04:40 prot-na_2200.pdb -35609.6600654
2026-04-28 11:05:45 prot-na_2300.pdb -3691.17753917
2026-04-28 11:06:51 prot-na_2400.pdb -75868.2283113
2026-04-28 11:07:56 prot-na_2500.pdb -23528.4220898
2026-04-28 11:09:01 prot-na_2600.pdb -61558.030327
2026-04-28 11:10:07 prot-na_2700.pdb -59609.7272504
2026-04-28 11:11:12 prot-na_2800.pdb -155341.080883
2026-04-28 11:12:19 prot-na_2900.pdb -3736.32393376
2026-04-28 11:13:25 prot-na_3000.pdb -18579.3781722
2026-04-28 11:14:31 prot-na_3100.pdb -68269.1687805
2026-04-28 11:15:37 prot-na_3200.pdb -125083.408443
2026-04-28 11:16:44 prot-na_3300.pdb -124441.5943
2026-04-28 11:17:51 prot-na_3400.pdb -77060.4485802
2026-04-28 11:18:57 prot-na_3500.pdb -124314.698407
2026-04-28 11:20:03 prot-na_3600.pdb -56999.4751137
2026-04-28 11:21:09 prot-na_3700.pdb -5157.25085342
2026-04-28 11:22:14 prot-na_3800.pdb -7486.69523293
2026-04-28 11:23:20 prot-na_3900.pdb -72838.1579292
2026-04-28 11:24:25 prot-na_4000.pdb 53395.2207772
2026-04-28 11:25:30 prot-na_4100.pdb -128226.357001
2026-04-28 11:26:35 prot-na_4200.pdb -112436.80616
2026-04-28 11:27:40 prot-na_4300.pdb -30821.128708
2026-04-28 11:28:45 prot-na_4400.pdb -131768.872484
2026-04-28 11:29:49 prot-na_4500.pdb -15007.0226163
2026-04-28 11:30:53 prot-na_4600.pdb -133659.563284
2026-04-28 11:31:57 prot-na_4700.pdb -197021.310021
2026-04-28 11:33:02 prot-na_4800.pdb -35751.4468022
2026-04-28 11:34:06 prot-na_4900.pdb -32040.3907368
2026-04-28 11:35:11 prot-na_5000.pdb 9161.25006187
2026-04-28 11:36:16 prot-na_5100.pdb -21369.8484486
2026-04-28 11:37:20 prot-na_5200.pdb -57499.392105
2026-04-28 11:38:25 prot-na_5300.pdb 5263.67606624
2026-04-28 11:39:29 prot-na_5400.pdb -34947.6452631
2026-04-28 11:40:33 prot-na_5500.pdb -57107.9518977
2026-04-28 11:41:37 prot-na_5600.pdb 26980.3145446
2026-04-28 11:42:41 prot-na_5700.pdb -872.682737691
2026-04-28 11:43:45 prot-na_5800.pdb -37843.1249681
2026-04-28 11:44:49 prot-na_5900.pdb -47679.3776443
2026-04-28 11:45:57 prot-na_6000.pdb -119895.035774
2026-04-28 11:47:02 prot-na_6100.pdb 30000.0
2026-04-28 11:48:06 prot-na_6200.pdb -68228.1339785
2026-04-28 11:49:09 prot-na_6300.pdb -76474.5047738
2026-04-28 11:50:13 prot-na_6400.pdb 9000.0
2026-04-28 11:51:16 prot-na_6500.pdb -112754.240819
2026-04-28 11:52:19 prot-na_6600.pdb -12427.3798642
2026-04-28 11:53:23 prot-na_6700.pdb -8794.35217465
2026-04-28 11:54:27 prot-na_6800.pdb -150434.723759
2026-04-28 11:55:30 prot-na_6900.pdb -106667.186285
2026-04-28 11:56:34 prot-na_7000.pdb -45893.9954511
2026-04-28 11:57:37 prot-na_7100.pdb -72001.6049564
2026-04-28 11:58:41 prot-na_7200.pdb -11896.3075412
2026-04-28 11:59:44 prot-na_7300.pdb -13018.9490963
2026-04-28 12:00:48 prot-na_7400.pdb -60077.41131
2026-04-28 12:01:51 prot-na_7500.pdb 9000.0
2026-04-28 12:02:55 prot-na_7600.pdb -46363.3979105
2026-04-28 12:03:58 prot-na_7700.pdb 79834.4289051
2026-04-28 12:05:02 prot-na_7800.pdb -17424.6301941
2026-04-28 12:06:04 prot-na_7900.pdb -46277.8430788
2026-04-28 12:07:08 prot-na_8000.pdb -32379.3193892
2026-04-28 12:08:12 prot-na_8100.pdb -68980.4978974
2026-04-28 12:09:15 prot-na_8200.pdb -138706.376352
2026-04-28 12:10:18 prot-na_8300.pdb -108662.173607
2026-04-28 12:11:22 prot-na_8400.pdb -4110.73633819
2026-04-28 12:12:25 prot-na_8500.pdb -100180.029864
2026-04-28 12:13:28 prot-na_8600.pdb -17119.9814552
2026-04-28 12:14:32 prot-na_8700.pdb -74265.8197922
2026-04-28 12:15:36 prot-na_8800.pdb 0.0
2026-04-28 12:16:40 prot-na_8900.pdb -3238.12885179
2026-04-28 12:17:44 prot-na_9000.pdb 61425.1097987
2026-04-28 12:18:47 prot-na_9100.pdb 2105.51265126
2026-04-28 12:19:50 prot-na_9200.pdb -65709.2209496
2026-04-28 12:20:54 prot-na_9300.pdb -59369.3142755
2026-04-28 12:21:58 prot-na_9400.pdb -53276.4755203
2026-04-28 12:23:02 prot-na_9500.pdb -168926.845449
2026-04-28 12:24:12 prot-na_9600.pdb -90213.2473007
2026-04-28 12:25:17 prot-na_9700.pdb -25433.0622517
2026-04-28 12:26:24 prot-na_9800.pdb -93769.5491841
2026-04-28 12:27:30 prot-na_9900.pdb -12916.9093861
2026-04-28 12:28:37 prot-na_10000.pdb -74815.7771947
2026-04-28 12:29:44 prot-na_10100.pdb -9874.79249658
2026-04-28 12:30:48 prot-na_10200.pdb 15398.1918207
2026-04-28 12:31:52 prot-na_10300.pdb -93979.186176
2026-04-28 12:32:56 prot-na_10400.pdb -13730.476336
2026-04-28 12:34:05 prot-na_10500.pdb -53101.4712645
2026-04-28 12:35:15 prot-na_10600.pdb -82083.7427878
2026-04-28 12:36:25 prot-na_10700.pdb 49578.9227569
2026-04-28 12:37:35 prot-na_10800.pdb 5973.01236675
2026-04-28 12:38:45 prot-na_10900.pdb -61458.2287625
2026-04-28 12:39:55 prot-na_11000.pdb -22879.9455681
2026-04-28 12:41:04 prot-na_11100.pdb 18000.0
2026-04-28 12:42:14 prot-na_11200.pdb -51967.9686421
2026-04-28 12:43:24 prot-na_11300.pdb -50672.5278474
2026-04-28 12:44:35 prot-na_11400.pdb -52681.0507808
2026-04-28 12:45:45 prot-na_11500.pdb -29463.1244112
2026-04-28 12:46:56 prot-na_11600.pdb -20130.4342301
2026-04-28 12:48:06 prot-na_11700.pdb -117155.211064
2026-04-28 12:49:16 prot-na_11800.pdb 31848.258916
2026-04-28 12:50:26 prot-na_11900.pdb 44414.7254425
2026-04-28 12:51:36 prot-na_12000.pdb -89050.6870027
2026-04-28 12:52:46 prot-na_12100.pdb -229088.763891
2026-04-28 12:53:55 prot-na_12200.pdb -41374.2492083
2026-04-28 12:55:04 prot-na_12300.pdb -31952.0093557
2026-04-28 12:56:14 prot-na_12400.pdb -11485.7039209
2026-04-28 12:57:25 prot-na_12500.pdb -52450.2483963
2026-04-28 12:58:35 prot-na_12600.pdb -82050.703164
2026-04-28 12:59:45 prot-na_12700.pdb -28730.4833411
2026-04-28 13:00:57 prot-na_12800.pdb -28200.6902166
2026-04-28 13:02:08 prot-na_12900.pdb 14119.0632425
2026-04-28 13:03:17 prot-na_13000.pdb 40130.855366
2026-04-28 13:04:28 prot-na_13100.pdb -51252.8080491
2026-04-28 13:05:38 prot-na_13200.pdb -172401.441635
2026-04-28 13:06:46 prot-na_13300.pdb -36323.3996329
2026-04-28 13:07:56 prot-na_13400.pdb -83439.2850594
2026-04-28 13:09:05 prot-na_13500.pdb 0.0
2026-04-28 13:10:16 prot-na_13600.pdb -14191.329762
2026-04-28 13:11:26 prot-na_13700.pdb -52600.3931505
2026-04-28 13:12:36 prot-na_13800.pdb -28316.2595623
2026-04-28 13:13:46 prot-na_13900.pdb -113921.580317
2026-04-28 13:14:56 prot-na_14000.pdb -41957.640041
2026-04-28 13:16:06 prot-na_14100.pdb 4934.02861775
2026-04-28 13:17:16 prot-na_14200.pdb -71605.1628869
2026-04-28 13:18:27 prot-na_14300.pdb -7336.49749384
2026-04-28 13:19:37 prot-na_14400.pdb -50084.7140861
2026-04-28 13:20:46 prot-na_14500.pdb -58236.6146536
2026-04-28 13:21:57 prot-na_14600.pdb -246951.919675
2026-04-28 13:23:07 prot-na_14700.pdb -71233.2545494
2026-04-28 13:24:17 prot-na_14800.pdb -91507.3439381
2026-04-28 13:25:28 prot-na_14900.pdb -38900.9577422
2026-04-28 13:26:38 prot-na_15000.pdb -71893.0539919
2026-04-28 13:27:48 prot-na_15100.pdb -19621.3746728
2026-04-28 13:28:58 prot-na_15200.pdb -25242.9057223
2026-04-28 13:30:08 prot-na_15300.pdb -49492.6776435
2026-04-28 13:31:17 prot-na_15400.pdb 13708.7667701
2026-04-28 13:32:27 prot-na_15500.pdb -44275.0763993
2026-04-28 13:33:38 prot-na_15600.pdb -13160.069346
2026-04-28 13:34:48 prot-na_15700.pdb 384.968126465
2026-04-28 13:35:58 prot-na_15800.pdb 313.676626125
2026-04-28 13:37:09 prot-na_15900.pdb -12187.3111221
2026-04-28 13:38:19 prot-na_16000.pdb -29084.3384099
2026-04-28 13:39:28 prot-na_16100.pdb -27900.761382
2026-04-28 13:40:36 prot-na_16200.pdb -46641.3142288
2026-04-28 13:41:45 prot-na_16300.pdb 952.38817144
2026-04-28 13:42:55 prot-na_16400.pdb -15399.7923858
2026-04-28 13:44:04 prot-na_16500.pdb -11764.3236939
2026-04-28 13:45:13 prot-na_16600.pdb -36626.2674526
2026-04-28 13:46:21 prot-na_16700.pdb -36677.5617368
2026-04-28 13:47:29 prot-na_16800.pdb -72873.4520989
2026-04-28 13:48:34 prot-na_16900.pdb -62028.4211902
2026-04-28 13:49:38 prot-na_17000.pdb -61697.4804915
2026-04-28 13:50:43 prot-na_17100.pdb -65778.8310946
2026-04-28 13:51:47 prot-na_17200.pdb -94840.9237862
2026-04-28 13:52:52 prot-na_17300.pdb -81359.7720987
2026-04-28 13:53:57 prot-na_17400.pdb -176057.936882
2026-04-28 13:55:02 prot-na_17500.pdb -140932.671298
2026-04-28 13:56:07 prot-na_17600.pdb -15626.1309854
2026-04-28 13:57:12 prot-na_17700.pdb 28839.4920124
2026-04-28 13:58:16 prot-na_17800.pdb 27000.0
2026-04-28 13:59:20 prot-na_17900.pdb -14982.8329327
2026-04-28 14:00:24 prot-na_18000.pdb -117861.82893
2026-04-28 14:01:29 prot-na_18100.pdb -6536.51037237
2026-04-28 14:02:33 prot-na_18200.pdb -59304.0518326
2026-04-28 14:03:37 prot-na_18300.pdb 11543.3882587
2026-04-28 14:04:41 prot-na_18400.pdb -9149.75123865
2026-04-28 14:05:45 prot-na_18500.pdb -36209.4197749
2026-04-28 14:06:50 prot-na_18600.pdb -54127.9561429
2026-04-28 14:07:55 prot-na_18700.pdb -106005.776083
2026-04-28 14:09:01 prot-na_18800.pdb -60718.8446838
2026-04-28 14:10:05 prot-na_18900.pdb -52403.7065206
2026-04-28 14:11:10 prot-na_19000.pdb -80998.1961728
2026-04-28 14:12:14 prot-na_19100.pdb -76783.7112651
2026-04-28 14:13:19 prot-na_19200.pdb -91991.9480605
2026-04-28 14:14:23 prot-na_19300.pdb 19348.9341671
2026-04-28 14:15:27 prot-na_19400.pdb -7732.12103932
2026-04-28 14:16:32 prot-na_19500.pdb -30509.1749998
2026-04-28 14:17:39 prot-na_19600.pdb -76100.9243758
2026-04-28 14:18:44 prot-na_19700.pdb -79701.0389299
2026-04-28 14:19:48 prot-na_19800.pdb -80859.2511867
2026-04-28 14:20:52 prot-na_19900.pdb -13379.7620375
2026-04-28 14:21:56 prot-na_20000.pdb -141539.322563
2026-04-28 14:21:56 Varani starts
2026-04-28 14:21:57 prot-na_1000.pdb 96.115
2026-04-28 14:24:08 prot-na_94.pdb 216.491
2026-04-28 14:26:28 prot-na_194.pdb 213.049
2026-04-28 14:28:43 prot-na_294.pdb 330.848
2026-04-28 14:31:01 prot-na_394.pdb 125.178
2026-04-28 14:33:10 prot-na_494.pdb 110.024
2026-04-28 14:35:17 prot-na_594.pdb 70.037
2026-04-28 14:37:23 prot-na_694.pdb 101.793
2026-04-28 14:39:29 prot-na_794.pdb 135.727
2026-04-28 14:41:46 prot-na_894.pdb 78.36
2026-04-28 14:43:59 prot-na_994.pdb 227.676
2026-04-28 14:46:20 prot-na_1100.pdb 159.643
2026-04-28 14:48:29 prot-na_1200.pdb 114.733
2026-04-28 14:50:35 prot-na_1300.pdb 101.346
2026-04-28 14:52:40 prot-na_1400.pdb 124.628
2026-04-28 14:54:45 prot-na_1500.pdb 92.462
2026-04-28 14:56:50 prot-na_1600.pdb 72.818
2026-04-28 14:58:55 prot-na_1700.pdb 294.57
2026-04-28 15:00:02 [..]01.793
msg prot-na_794.pdb 135.727
msg prot-na_894.pdb 78.36
msg prot-na_994.pdb 227.676
msg prot-na_1100.pdb 159.643
msg prot-na_1200.pdb 114.733
msg prot-na_1300.pdb 101.346
msg prot-na_1400.pdb 124.628
msg prot-na_1500.pdb 92.462
msg prot-na_1600.pdb 72.818
msg prot-na_1700.pdb 294.57
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
15127.05user 210.69system 4:18:41elapsed 98%CPU (0avgtext+0avgdata 194792maxresident)k
18986272inputs+3058992outputs (28major+18752725minor)pagefaults 0swaps