2026-04-29 13:23:04 NPdock start 2026-04-29 13:23:04 ver: server 2026-04-29 13:23:04 mode: 11111 2026-04-29 13:23:04 is RNA? 0 2026-04-29 13:23:04 Interface: prot: '' na: '' 2026-04-29 13:23:04 Curr dir:/home/rpdock/web/media/jobs/f986ad16-8090-4c7b-96bf-a7e268a6ec48/ 2026-04-29 13:23:04 GRAMM in progress... 2026-04-29 13:23:04 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb -pi '' -ri '' -n 1 -pf '*' -rf '*' 2026-04-29 13:59:22 GRAMM done 2026-04-29 13:59:22 DNP scoring in progress... 2026-04-29 13:59:22 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt 2026-04-29 13:59:23 QDV-DNP starts 2026-04-29 13:59:23 Show log every 100 structures 2026-04-29 13:59:23 QUASI-DNP starts 2026-04-29 13:59:23 prot-na_1000.pdb -1016020.31071 2026-04-29 13:59:42 prot-na_94.pdb -341847.737525 2026-04-29 14:00:01 prot-na_194.pdb -528100.591328 2026-04-29 14:00:21 prot-na_294.pdb -604155.572708 2026-04-29 14:00:40 prot-na_394.pdb -428031.316232 2026-04-29 14:01:00 prot-na_494.pdb -592227.005109 2026-04-29 14:01:19 prot-na_594.pdb -323949.863373 2026-04-29 14:01:39 prot-na_694.pdb -307882.917044 2026-04-29 14:01:59 prot-na_794.pdb -468590.841722 2026-04-29 14:02:19 prot-na_894.pdb -344179.204283 2026-04-29 14:02:38 prot-na_994.pdb -525309.087426 2026-04-29 14:02:58 prot-na_1100.pdb -740936.806503 2026-04-29 14:03:18 prot-na_1200.pdb -541364.365705 2026-04-29 14:03:37 prot-na_1300.pdb -430937.315908 2026-04-29 14:03:57 prot-na_1400.pdb -452900.551846 2026-04-29 14:04:16 prot-na_1500.pdb -452924.873599 2026-04-29 14:04:36 prot-na_1600.pdb -938356.494937 2026-04-29 14:04:55 prot-na_1700.pdb -612096.225208 2026-04-29 14:05:15 prot-na_1800.pdb -322763.636542 2026-04-29 14:05:34 prot-na_1900.pdb -468216.778701 2026-04-29 14:05:53 prot-na_2000.pdb -435776.77517 2026-04-29 14:06:13 prot-na_2100.pdb -418521.800524 2026-04-29 14:06:33 prot-na_2200.pdb -358588.374414 2026-04-29 14:06:52 prot-na_2300.pdb -813389.759702 2026-04-29 14:07:11 prot-na_2400.pdb -543941.627641 2026-04-29 14:07:30 prot-na_2500.pdb -537631.191402 2026-04-29 14:07:49 prot-na_2600.pdb -432609.092222 2026-04-29 14:08:08 prot-na_2700.pdb -369672.689449 2026-04-29 14:08:28 prot-na_2800.pdb -663195.427081 2026-04-29 14:08:47 prot-na_2900.pdb -371071.307788 2026-04-29 14:09:06 prot-na_3000.pdb -320469.640548 2026-04-29 14:09:25 prot-na_3100.pdb -260778.758937 2026-04-29 14:09:44 prot-na_3200.pdb -532147.185905 2026-04-29 14:10:03 prot-na_3300.pdb -610920.709339 2026-04-29 14:10:22 prot-na_3400.pdb -275337.099203 2026-04-29 14:10:41 prot-na_3500.pdb -280881.72855 2026-04-29 14:11:00 prot-na_3600.pdb -373998.982253 2026-04-29 14:11:19 prot-na_3700.pdb -361116.226623 2026-04-29 14:11:38 prot-na_3800.pdb -532748.917543 2026-04-29 14:11:57 prot-na_3900.pdb -428316.559997 2026-04-29 14:12:16 prot-na_4000.pdb -815293.542167 2026-04-29 14:12:35 prot-na_4100.pdb -849669.444455 2026-04-29 14:12:54 prot-na_4200.pdb -448820.382081 2026-04-29 14:13:13 prot-na_4300.pdb -680628.975197 2026-04-29 14:13:32 prot-na_4400.pdb -431428.145767 2026-04-29 14:13:51 prot-na_4500.pdb -227789.878014 2026-04-29 14:14:10 prot-na_4600.pdb -690691.826566 2026-04-29 14:14:29 prot-na_4700.pdb -468041.452019 2026-04-29 14:14:48 prot-na_4800.pdb -517249.111873 2026-04-29 14:15:07 prot-na_4900.pdb -381932.772954 2026-04-29 14:15:26 prot-na_5000.pdb -465110.880628 2026-04-29 14:15:45 prot-na_5100.pdb -432747.732865 2026-04-29 14:16:04 prot-na_5200.pdb -544306.102402 2026-04-29 14:16:22 prot-na_5300.pdb -480456.267478 2026-04-29 14:16:41 prot-na_5400.pdb -671464.110694 2026-04-29 14:17:00 prot-na_5500.pdb -616425.49999 2026-04-29 14:17:19 prot-na_5600.pdb -528996.416059 2026-04-29 14:17:38 prot-na_5700.pdb -708082.305535 2026-04-29 14:17:57 prot-na_5800.pdb -384110.056626 2026-04-29 14:18:16 prot-na_5900.pdb -452886.609998 2026-04-29 14:18:36 prot-na_6000.pdb -495791.988347 2026-04-29 14:18:54 prot-na_6100.pdb -741573.433158 2026-04-29 14:19:13 prot-na_6200.pdb -504379.805003 2026-04-29 14:19:32 prot-na_6300.pdb -469523.325322 2026-04-29 14:19:51 prot-na_6400.pdb -493441.481137 2026-04-29 14:20:10 prot-na_6500.pdb -585339.784855 2026-04-29 14:20:29 prot-na_6600.pdb -389251.443969 2026-04-29 14:20:48 prot-na_6700.pdb -129893.601801 2026-04-29 14:21:07 prot-na_6800.pdb -685338.009379 2026-04-29 14:21:26 prot-na_6900.pdb -403063.001355 2026-04-29 14:21:45 prot-na_7000.pdb -244240.981625 2026-04-29 14:22:04 prot-na_7100.pdb -326378.368475 2026-04-29 14:22:23 prot-na_7200.pdb -401657.418404 2026-04-29 14:22:42 prot-na_7300.pdb -905053.196478 2026-04-29 14:23:01 prot-na_7400.pdb -311741.20791 2026-04-29 14:23:20 prot-na_7500.pdb -488955.092792 2026-04-29 14:23:39 prot-na_7600.pdb -464987.383273 2026-04-29 14:23:58 prot-na_7700.pdb -632978.486484 2026-04-29 14:24:17 prot-na_7800.pdb -468838.107699 2026-04-29 14:24:36 prot-na_7900.pdb -716253.296149 2026-04-29 14:24:55 prot-na_8000.pdb -598235.154141 2026-04-29 14:25:14 prot-na_8100.pdb -530074.072536 2026-04-29 14:25:33 prot-na_8200.pdb -692845.880598 2026-04-29 14:25:52 prot-na_8300.pdb -580587.230085 2026-04-29 14:26:11 prot-na_8400.pdb -393137.523677 2026-04-29 14:26:30 prot-na_8500.pdb -768913.239166 2026-04-29 14:26:49 prot-na_8600.pdb -637909.52678 2026-04-29 14:27:09 prot-na_8700.pdb -435904.212015 2026-04-29 14:27:28 prot-na_8800.pdb -406691.471129 2026-04-29 14:27:47 prot-na_8900.pdb -397607.468496 2026-04-29 14:28:06 prot-na_9000.pdb -512705.468179 2026-04-29 14:28:24 prot-na_9100.pdb -1064553.97312 2026-04-29 14:28:44 prot-na_9200.pdb -335753.413506 2026-04-29 14:29:03 prot-na_9300.pdb -361612.811035 2026-04-29 14:29:22 prot-na_9400.pdb -660981.962557 2026-04-29 14:29:41 prot-na_9500.pdb -495314.71176 2026-04-29 14:30:00 prot-na_9600.pdb -418331.067608 2026-04-29 14:30:19 prot-na_9700.pdb -611098.088252 2026-04-29 14:30:38 prot-na_9800.pdb -626862.462641 2026-04-29 14:30:57 prot-na_9900.pdb -703118.316913 2026-04-29 14:31:16 prot-na_10000.pdb -889632.425696 2026-04-29 14:31:35 prot-na_10100.pdb -434610.450677 2026-04-29 14:31:54 prot-na_10200.pdb -311192.022955 2026-04-29 14:32:14 prot-na_10300.pdb -288814.845547 2026-04-29 14:32:33 prot-na_10400.pdb -370020.38664 2026-04-29 14:32:52 prot-na_10500.pdb -536950.81462 2026-04-29 14:33:11 prot-na_10600.pdb -326746.203168 2026-04-29 14:33:30 prot-na_10700.pdb -312670.301576 2026-04-29 14:33:49 prot-na_10800.pdb -740632.711423 2026-04-29 14:34:08 prot-na_10900.pdb -937600.5141 2026-04-29 14:34:27 prot-na_11000.pdb -224461.931178 2026-04-29 14:34:46 prot-na_11100.pdb -660650.274995 2026-04-29 14:35:05 prot-na_11200.pdb -654031.083836 2026-04-29 14:35:24 prot-na_11300.pdb -475235.730219 2026-04-29 14:35:43 prot-na_11400.pdb -559428.564555 2026-04-29 14:36:02 prot-na_11500.pdb -366556.011053 2026-04-29 14:36:21 prot-na_11600.pdb -417996.669748 2026-04-29 14:36:40 prot-na_11700.pdb -739019.980878 2026-04-29 14:36:59 prot-na_11800.pdb -546606.979172 2026-04-29 14:37:19 prot-na_11900.pdb -646315.080139 2026-04-29 14:37:38 prot-na_12000.pdb -477954.33793 2026-04-29 14:37:57 prot-na_12100.pdb -560705.317806 2026-04-29 14:38:17 prot-na_12200.pdb -756671.623481 2026-04-29 14:38:36 prot-na_12300.pdb -437100.460351 2026-04-29 14:38:55 prot-na_12400.pdb -355540.502318 2026-04-29 14:39:14 prot-na_12500.pdb -594106.283142 2026-04-29 14:39:33 prot-na_12600.pdb -384598.645512 2026-04-29 14:39:52 prot-na_12700.pdb -603402.935638 2026-04-29 14:40:11 prot-na_12800.pdb -380006.02436 2026-04-29 14:40:30 prot-na_12900.pdb -634730.62942 2026-04-29 14:40:50 prot-na_13000.pdb -339895.072687 2026-04-29 14:41:09 prot-na_13100.pdb -585095.918521 2026-04-29 14:41:28 prot-na_13200.pdb -446724.288737 2026-04-29 14:41:47 prot-na_13300.pdb -542096.386437 2026-04-29 14:42:06 prot-na_13400.pdb -207174.51582 2026-04-29 14:42:25 prot-na_13500.pdb -500957.043732 2026-04-29 14:42:44 prot-na_13600.pdb -850234.176592 2026-04-29 14:43:04 prot-na_13700.pdb -649716.069038 2026-04-29 14:43:23 prot-na_13800.pdb -530566.800002 2026-04-29 14:43:42 prot-na_13900.pdb -788703.977358 2026-04-29 14:44:01 prot-na_14000.pdb -843427.119615 2026-04-29 14:44:20 prot-na_14100.pdb -183672.184446 2026-04-29 14:44:39 prot-na_14200.pdb -657609.218996 2026-04-29 14:44:58 prot-na_14300.pdb -527388.096324 2026-04-29 14:45:17 prot-na_14400.pdb -1063558.10236 2026-04-29 14:45:36 prot-na_14500.pdb -486895.973935 2026-04-29 14:45:55 prot-na_14600.pdb -481468.432023 2026-04-29 14:46:14 prot-na_14700.pdb -726475.905806 2026-04-29 14:46:34 prot-na_14800.pdb -396990.832933 2026-04-29 14:46:56 prot-na_14900.pdb -288282.50586 2026-04-29 14:47:15 prot-na_15000.pdb -465010.725583 2026-04-29 14:47:34 prot-na_15100.pdb -601852.642527 2026-04-29 14:47:54 prot-na_15200.pdb -422690.620368 2026-04-29 14:48:13 prot-na_15300.pdb -251210.562406 2026-04-29 14:48:32 prot-na_15400.pdb -306497.496213 2026-04-29 14:48:51 prot-na_15500.pdb -424347.62244 2026-04-29 14:49:10 prot-na_15600.pdb -571036.929066 2026-04-29 14:49:29 prot-na_15700.pdb -246040.596578 2026-04-29 14:49:48 prot-na_15800.pdb -454497.447531 2026-04-29 14:50:07 prot-na_15900.pdb -543933.702011 2026-04-29 14:50:26 prot-na_16000.pdb -395358.463354 2026-04-29 14:50:45 prot-na_16100.pdb -659625.985169 2026-04-29 14:51:04 prot-na_16200.pdb -75241.4069959 2026-04-29 14:51:23 prot-na_16300.pdb -211383.454797 2026-04-29 14:51:42 prot-na_16400.pdb -491435.04782 2026-04-29 14:52:01 prot-na_16500.pdb -243634.200676 2026-04-29 14:52:20 prot-na_16600.pdb -837589.656543 2026-04-29 14:52:39 prot-na_16700.pdb -470418.650527 2026-04-29 14:52:59 prot-na_16800.pdb -356706.345327 2026-04-29 14:53:18 prot-na_16900.pdb -540433.292812 2026-04-29 14:53:37 prot-na_17000.pdb -360235.985582 2026-04-29 14:53:56 prot-na_17100.pdb -317066.068541 2026-04-29 14:54:15 prot-na_17200.pdb -438332.577529 2026-04-29 14:54:34 prot-na_17300.pdb -404984.371826 2026-04-29 14:54:53 prot-na_17400.pdb -630241.125394 2026-04-29 14:55:12 prot-na_17500.pdb -201330.074518 2026-04-29 14:55:31 prot-na_17600.pdb -398560.845244 2026-04-29 14:55:50 prot-na_17700.pdb -408363.529493 2026-04-29 14:56:09 prot-na_17800.pdb -589166.317537 2026-04-29 14:56:29 prot-na_17900.pdb -296244.812401 2026-04-29 14:56:47 prot-na_18000.pdb -363827.319742 2026-04-29 14:57:06 prot-na_18100.pdb -351105.653527 2026-04-29 14:57:25 prot-na_18200.pdb -641334.910419 2026-04-29 14:57:48 prot-na_18300.pdb -518482.08016 2026-04-29 14:58:09 prot-na_18400.pdb -645678.53963 2026-04-29 14:58:29 prot-na_18500.pdb -941009.554454 2026-04-29 14:58:48 prot-na_18600.pdb -349593.336941 2026-04-29 14:59:07 prot-na_18700.pdb -714916.38012 2026-04-29 14:59:28 prot-na_18800.pdb -825467.306675 2026-04-29 14:59:47 prot-na_18900.pdb -315862.876299 2026-04-29 15:00:06 prot-na_19000.pdb -337802.501323 2026-04-29 15:00:25 prot-na_19100.pdb -332520.233703 2026-04-29 15:00:44 prot-na_19200.pdb -323333.732704 2026-04-29 15:01:04 prot-na_19300.pdb -845180.342051 2026-04-29 15:01:23 prot-na_19400.pdb -642168.666004 2026-04-29 15:01:44 prot-na_19500.pdb -465932.96016 2026-04-29 15:02:06 prot-na_19600.pdb -640181.223969 2026-04-29 15:02:26 prot-na_19700.pdb -522675.463241 2026-04-29 15:02:45 prot-na_19800.pdb -433709.075275 2026-04-29 15:03:04 prot-na_19900.pdb -264946.54002 2026-04-29 15:03:25 prot-na_20000.pdb -442052.176767 2026-04-29 15:03:25 Varani starts 2026-04-29 15:03:25 [..]hain B has not P atom msg prot-na_20000.pdb -442052.176767 - - - - - - - - - - - - - - - - - - - - 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/f986ad16-8090-4c7b-96bf-a7e268a6ec48/prot-na_10/prot-na_1000.pdb_var', '-m', '3_10_1_scores.txt']' returned non-zero exit status -11 Command exited with non-zero status 1 3782.85user 15.34system 1:04:03elapsed 98%CPU (0avgtext+0avgdata 224224maxresident)k 6896024inputs+1712outputs (23major+5117106minor)pagefaults 0swaps