2026-07-08 15:15:02 NPdock start 2026-07-08 15:15:02 ver: server 2026-07-08 15:15:02 mode: 11111 2026-07-08 15:15:02 is RNA? 0 2026-07-08 15:15:02 Interface: prot: '' na: '' 2026-07-08 15:15:02 Curr dir:/home/rpdock/web/media/jobs/21157377-17fe-4a89-96ba-8f26915f4812/ 2026-07-08 15:15:02 GRAMM in progress... 2026-07-08 15:15:02 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb -pi '' -ri '' -n 1 -pf '*' -rf '*' 2026-07-08 16:26:18 GRAMM done 2026-07-08 16:26:18 DNP scoring in progress... 2026-07-08 16:26:18 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt 2026-07-08 16:26:19 QDV-DNP starts 2026-07-08 16:26:19 Show log every 100 structures 2026-07-08 16:26:19 QUASI-DNP starts 2026-07-08 16:26:20 prot-na_1000.pdb -659432.954932 2026-07-08 16:26:52 prot-na_94.pdb -691343.082173 2026-07-08 16:27:25 prot-na_194.pdb -828257.464048 2026-07-08 16:28:00 prot-na_294.pdb -488108.831676 2026-07-08 16:28:35 prot-na_394.pdb -489662.633845 2026-07-08 16:29:09 prot-na_494.pdb -544598.660959 2026-07-08 16:29:44 prot-na_594.pdb -554180.334125 2026-07-08 16:30:19 prot-na_694.pdb -533496.923951 2026-07-08 16:30:54 prot-na_794.pdb -548264.563352 2026-07-08 16:31:30 prot-na_894.pdb -426510.081038 2026-07-08 16:32:05 prot-na_994.pdb -447139.879663 2026-07-08 16:32:40 prot-na_1100.pdb -836056.797932 2026-07-08 16:33:16 prot-na_1200.pdb -951656.793472 2026-07-08 16:33:52 prot-na_1300.pdb -623981.927841 2026-07-08 16:34:27 prot-na_1400.pdb -600103.439526 2026-07-08 16:35:02 prot-na_1500.pdb -539378.281009 2026-07-08 16:35:38 prot-na_1600.pdb -538680.627664 2026-07-08 16:36:13 prot-na_1700.pdb -340749.226129 2026-07-08 16:36:49 prot-na_1800.pdb -799135.470292 2026-07-08 16:37:25 prot-na_1900.pdb -815769.550595 2026-07-08 16:38:00 prot-na_2000.pdb -678213.001718 2026-07-08 16:38:36 prot-na_2100.pdb -547245.293517 2026-07-08 16:39:11 prot-na_2200.pdb -703566.469215 2026-07-08 16:39:47 prot-na_2300.pdb -599683.88812 2026-07-08 16:40:23 prot-na_2400.pdb -380580.693453 2026-07-08 16:40:58 prot-na_2500.pdb -307510.152349 2026-07-08 16:41:34 prot-na_2600.pdb -606012.615511 2026-07-08 16:42:10 prot-na_2700.pdb -402976.540771 2026-07-08 16:42:46 prot-na_2800.pdb -454344.447453 2026-07-08 16:43:22 prot-na_2900.pdb -411644.003781 2026-07-08 16:43:58 prot-na_3000.pdb -538519.243093 2026-07-08 16:44:33 prot-na_3100.pdb -518844.944233 2026-07-08 16:45:09 prot-na_3200.pdb -409744.741981 2026-07-08 16:45:45 prot-na_3300.pdb -154206.256676 2026-07-08 16:46:21 prot-na_3400.pdb -388861.563591 2026-07-08 16:46:56 prot-na_3500.pdb -323107.675433 2026-07-08 16:47:32 prot-na_3600.pdb -602267.611252 2026-07-08 16:48:09 prot-na_3700.pdb -449841.503298 2026-07-08 16:48:45 prot-na_3800.pdb -384420.234819 2026-07-08 16:49:21 prot-na_3900.pdb -621595.634644 2026-07-08 16:49:57 prot-na_4000.pdb -494861.060347 2026-07-08 16:50:33 prot-na_4100.pdb -336743.892735 2026-07-08 16:51:09 prot-na_4200.pdb -350434.507306 2026-07-08 16:51:45 prot-na_4300.pdb -582779.29593 2026-07-08 16:52:21 prot-na_4400.pdb -495134.207628 2026-07-08 16:52:57 prot-na_4500.pdb -403508.1672 2026-07-08 16:53:33 prot-na_4600.pdb -449685.216189 2026-07-08 16:54:09 prot-na_4700.pdb -450237.41117 2026-07-08 16:54:45 prot-na_4800.pdb -894905.963848 2026-07-08 16:55:21 prot-na_4900.pdb -583663.863792 2026-07-08 16:55:57 prot-na_5000.pdb -277643.921042 2026-07-08 16:56:33 prot-na_5100.pdb -351065.733077 2026-07-08 16:57:09 prot-na_5200.pdb -525496.549714 2026-07-08 16:57:45 prot-na_5300.pdb -635862.254721 2026-07-08 16:58:21 prot-na_5400.pdb -409690.704993 2026-07-08 16:58:57 prot-na_5500.pdb -557689.073617 2026-07-08 16:59:33 prot-na_5600.pdb -328948.449752 2026-07-08 17:00:09 prot-na_5700.pdb -306488.225277 2026-07-08 17:00:45 prot-na_5800.pdb -418661.105105 2026-07-08 17:01:20 prot-na_5900.pdb -452168.183855 2026-07-08 17:01:56 prot-na_6000.pdb -286702.704549 2026-07-08 17:02:32 prot-na_6100.pdb -398284.325286 2026-07-08 17:03:08 prot-na_6200.pdb -421216.555013 2026-07-08 17:03:44 prot-na_6300.pdb -537215.684398 2026-07-08 17:04:20 prot-na_6400.pdb -209477.417337 2026-07-08 17:04:56 prot-na_6500.pdb -476479.031439 2026-07-08 17:05:32 prot-na_6600.pdb -502663.328386 2026-07-08 17:06:07 prot-na_6700.pdb -257863.973096 2026-07-08 17:06:43 prot-na_6800.pdb -504788.966233 2026-07-08 17:07:19 prot-na_6900.pdb -441255.823079 2026-07-08 17:07:55 prot-na_7000.pdb -469520.309195 2026-07-08 17:08:31 prot-na_7100.pdb -392026.819072 2026-07-08 17:09:07 prot-na_7200.pdb -538169.440313 2026-07-08 17:09:42 prot-na_7300.pdb -225852.292957 2026-07-08 17:10:18 prot-na_7400.pdb -274469.146606 2026-07-08 17:10:54 prot-na_7500.pdb -541869.3129 2026-07-08 17:11:29 prot-na_7600.pdb -433935.577831 2026-07-08 17:12:05 prot-na_7700.pdb -666689.893595 2026-07-08 17:12:41 prot-na_7800.pdb -441747.453538 2026-07-08 17:13:17 prot-na_7900.pdb -631223.830371 2026-07-08 17:13:53 prot-na_8000.pdb -559307.77331 2026-07-08 17:14:28 prot-na_8100.pdb -489383.898292 2026-07-08 17:15:05 prot-na_8200.pdb -406330.463381 2026-07-08 17:15:41 prot-na_8300.pdb -652046.635751 2026-07-08 17:16:17 prot-na_8400.pdb -297154.977051 2026-07-08 17:16:52 prot-na_8500.pdb -545171.728117 2026-07-08 17:17:28 prot-na_8600.pdb -476805.03 2026-07-08 17:18:04 prot-na_8700.pdb -377931.377831 2026-07-08 17:18:39 prot-na_8800.pdb -329053.255649 2026-07-08 17:19:15 prot-na_8900.pdb -297424.564393 2026-07-08 17:19:51 prot-na_9000.pdb -287392.819289 2026-07-08 17:20:27 prot-na_9100.pdb -375183.455496 2026-07-08 17:21:03 prot-na_9200.pdb -327094.502402 2026-07-08 17:21:38 prot-na_9300.pdb -654684.025942 2026-07-08 17:22:14 prot-na_9400.pdb -442445.335516 2026-07-08 17:22:49 prot-na_9500.pdb -189108.099293 2026-07-08 17:23:25 prot-na_9600.pdb -581815.118841 2026-07-08 17:24:01 prot-na_9700.pdb -409979.58286 2026-07-08 17:24:37 prot-na_9800.pdb -405017.895943 2026-07-08 17:25:13 prot-na_9900.pdb -454093.622164 2026-07-08 17:25:49 prot-na_10000.pdb -579299.236542 2026-07-08 17:26:25 prot-na_10100.pdb -433178.74271 2026-07-08 17:27:00 prot-na_10200.pdb -448423.926627 2026-07-08 17:27:36 prot-na_10300.pdb -244485.309183 2026-07-08 17:28:12 prot-na_10400.pdb -409204.600734 2026-07-08 17:28:48 prot-na_10500.pdb -527845.391507 2026-07-08 17:29:26 prot-na_10600.pdb -534750.462235 2026-07-08 17:30:02 prot-na_10700.pdb -338835.611957 2026-07-08 17:30:41 prot-na_10800.pdb -704296.222081 2026-07-08 17:31:18 prot-na_10900.pdb -484943.426733 2026-07-08 17:31:54 prot-na_11000.pdb -333959.000153 2026-07-08 17:32:31 prot-na_11100.pdb -752772.309462 2026-07-08 17:33:07 prot-na_11200.pdb -600543.527486 2026-07-08 17:33:44 prot-na_11300.pdb -349614.54729 2026-07-08 17:34:20 prot-na_11400.pdb -452670.115635 2026-07-08 17:34:56 prot-na_11500.pdb -452211.769033 2026-07-08 17:35:33 prot-na_11600.pdb -158188.257252 2026-07-08 17:36:09 prot-na_11700.pdb -554370.683379 2026-07-08 17:36:45 prot-na_11800.pdb -328852.624926 2026-07-08 17:37:21 prot-na_11900.pdb -563470.402959 2026-07-08 17:37:58 prot-na_12000.pdb -514204.407616 2026-07-08 17:38:34 prot-na_12100.pdb -330879.219411 2026-07-08 17:39:10 prot-na_12200.pdb -560251.898369 2026-07-08 17:39:46 prot-na_12300.pdb -407742.965909 2026-07-08 17:40:22 prot-na_12400.pdb -436761.028505 2026-07-08 17:40:58 prot-na_12500.pdb -555611.25495 2026-07-08 17:41:34 prot-na_12600.pdb -558253.546637 2026-07-08 17:42:10 prot-na_12700.pdb -315904.668022 2026-07-08 17:42:46 prot-na_12800.pdb -483891.761396 2026-07-08 17:43:22 prot-na_12900.pdb -756866.092435 2026-07-08 17:43:57 prot-na_13000.pdb -564571.891706 2026-07-08 17:44:33 prot-na_13100.pdb -565570.92189 2026-07-08 17:45:09 prot-na_13200.pdb -425662.121952 2026-07-08 17:45:45 prot-na_13300.pdb -337310.178315 2026-07-08 17:46:20 prot-na_13400.pdb -347236.891132 2026-07-08 17:46:56 prot-na_13500.pdb -127216.231757 2026-07-08 17:47:32 prot-na_13600.pdb -438486.212711 2026-07-08 17:48:08 prot-na_13700.pdb -439819.16071 2026-07-08 17:48:44 prot-na_13800.pdb -306976.492425 2026-07-08 17:49:19 prot-na_13900.pdb -315182.483435 2026-07-08 17:49:55 prot-na_14000.pdb -279179.764368 2026-07-08 17:50:31 prot-na_14100.pdb -573488.335147 2026-07-08 17:51:07 prot-na_14200.pdb -456545.159596 2026-07-08 17:51:43 prot-na_14300.pdb -505819.512646 2026-07-08 17:52:19 prot-na_14400.pdb -512903.928699 2026-07-08 17:52:56 prot-na_14500.pdb -469025.219735 2026-07-08 17:53:32 prot-na_14600.pdb -429696.70975 2026-07-08 17:54:08 prot-na_14700.pdb -249566.129468 2026-07-08 17:54:44 prot-na_14800.pdb -372407.74081 2026-07-08 17:55:20 prot-na_14900.pdb -438617.687112 2026-07-08 17:55:56 prot-na_15000.pdb -507105.945882 2026-07-08 17:56:32 prot-na_15100.pdb -365702.448858 2026-07-08 17:57:09 prot-na_15200.pdb -454853.425325 2026-07-08 17:57:45 prot-na_15300.pdb -466961.524827 2026-07-08 17:58:21 prot-na_15400.pdb -651168.273058 2026-07-08 17:58:57 prot-na_15500.pdb -612462.825991 2026-07-08 17:59:33 prot-na_15600.pdb -222838.261438 2026-07-08 18:00:10 prot-na_15700.pdb -363100.02654 2026-07-08 18:00:45 prot-na_15800.pdb -574556.707332 2026-07-08 18:01:21 prot-na_15900.pdb -347933.853785 2026-07-08 18:01:57 prot-na_16000.pdb -569116.929462 2026-07-08 18:02:33 prot-na_16100.pdb -492834.302025 2026-07-08 18:03:09 prot-na_16200.pdb -164552.499739 2026-07-08 18:03:45 prot-na_16300.pdb -784650.685957 2026-07-08 18:04:22 prot-na_16400.pdb -658613.021532 2026-07-08 18:04:58 prot-na_16500.pdb -259453.560687 2026-07-08 18:05:34 prot-na_16600.pdb -576059.863957 2026-07-08 18:06:09 prot-na_16700.pdb -342974.880863 2026-07-08 18:06:45 prot-na_16800.pdb -254295.779453 2026-07-08 18:07:21 prot-na_16900.pdb -555407.396416 2026-07-08 18:07:57 prot-na_17000.pdb -738010.640491 2026-07-08 18:08:32 prot-na_17100.pdb -409706.328461 2026-07-08 18:09:08 prot-na_17200.pdb -380796.396383 2026-07-08 18:09:44 prot-na_17300.pdb -586723.792038 2026-07-08 18:10:21 prot-na_17400.pdb -615292.527577 2026-07-08 18:10:57 prot-na_17500.pdb -406185.368112 2026-07-08 18:11:33 prot-na_17600.pdb -431094.096704 2026-07-08 18:12:09 prot-na_17700.pdb -307716.381716 2026-07-08 18:12:45 prot-na_17800.pdb -303137.215532 2026-07-08 18:13:21 prot-na_17900.pdb -209299.367591 2026-07-08 18:13:58 prot-na_18000.pdb -395859.087916 2026-07-08 18:14:34 prot-na_18100.pdb -565033.156599 2026-07-08 18:15:10 prot-na_18200.pdb -372499.383457 2026-07-08 18:15:47 prot-na_18300.pdb -702373.675816 2026-07-08 18:16:23 prot-na_18400.pdb -421003.612228 2026-07-08 18:16:59 prot-na_18500.pdb -446064.015243 2026-07-08 18:17:35 prot-na_18600.pdb -243516.157948 2026-07-08 18:18:12 prot-na_18700.pdb -292054.643678 2026-07-08 18:18:47 prot-na_18800.pdb -390392.185909 2026-07-08 18:19:23 prot-na_18900.pdb -399211.342831 2026-07-08 18:19:59 prot-na_19000.pdb -352597.626591 2026-07-08 18:20:35 prot-na_19100.pdb -193821.398044 2026-07-08 18:21:13 prot-na_19200.pdb -577220.855006 2026-07-08 18:21:50 prot-na_19300.pdb -303004.475333 2026-07-08 18:22:26 prot-na_19400.pdb -524623.488618 2026-07-08 18:23:01 prot-na_19500.pdb -425882.758844 2026-07-08 18:23:37 prot-na_19600.pdb -352942.117501 2026-07-08 18:24:13 prot-na_19700.pdb -383596.204802 2026-07-08 18:24:49 prot-na_19800.pdb -583875.887302 2026-07-08 18:25:25 prot-na_19900.pdb -275029.068931 2026-07-08 18:26:01 prot-na_20000.pdb -389062.82742 2026-07-08 18:26:01 Varani starts 2026-07-08 18:26:01 [..]chain C has not P atom msg prot-na_20000.pdb -389062.82742 - - - - - - - - - - - - - - - - - - - - Varani potenitial is now running ... msg Varani starts Traceback (most recent call last): File "/home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py", line 542, in varani = subprocess.check_output(["/home/rpdock/run_gramm/DNP/laczony/score_complex","-f",plikV+"_var","-m","3_10_1_scores.txt"]) File "/usr/lib/python2.7/subprocess.py", line 574, in check_output raise CalledProcessError(retcode, cmd, output=output) subprocess.CalledProcessError: Command '['/home/rpdock/run_gramm/DNP/laczony/score_complex', '-f', '/home/rpdock/web/media/jobs/21157377-17fe-4a89-96ba-8f26915f4812/prot-na_10/prot-na_1000.pdb_var', '-m', '3_10_1_scores.txt']' returned non-zero exit status 255 Command exited with non-zero status 1 7109.48user 21.23system 1:59:43elapsed 99%CPU (0avgtext+0avgdata 213140maxresident)k 8288928inputs+2464outputs (15major+5899781minor)pagefaults 0swaps