2026-09-28 06:24:02 NPdock start 2026-09-28 06:24:02 ver: server 2026-09-28 06:24:02 mode: 11111 2026-09-28 06:24:02 is RNA? 1 2026-09-28 06:24:02 Interface: prot: '' na: '' 2026-09-28 06:24:02 Curr dir:/home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/ 2026-09-28 06:24:02 GRAMM in progress... 2026-09-28 06:24:02 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb -pi '' -ri '' -n 1 -pf '*' -rf '*' 2026-09-28 07:03:43 GRAMM done 2026-09-28 07:03:43 DARS scoring in progress... 2026-09-28 07:03:43 time python /home/rpdock/run_gramm//DARS-RNP_v3//DARS_potential_v3_scoring.py -m 100 -f list.txt -o dars_out.txt 2026-09-28 07:03:44 DARS start [DARS_potential_v3_scoring.py] 2026-09-28 07:03:44 Show log every 100 structures [DARS_potential_v3_scoring.py] 2026-09-28 07:03:44 1/20000 prot-na_1000.pdb -2274049.09 2026-09-28 07:04:26 100/20000 prot-na_94.pdb -2663779.03 2026-09-28 07:05:08 200/20000 prot-na_194.pdb -1750548.15 2026-09-28 07:05:52 300/20000 prot-na_294.pdb -2119260.10 2026-09-28 07:06:36 400/20000 prot-na_394.pdb -1926858.26 2026-09-28 07:07:20 500/20000 prot-na_494.pdb -2024328.13 2026-09-28 07:08:04 600/20000 prot-na_594.pdb -2535872.13 2026-09-28 07:08:48 700/20000 prot-na_694.pdb -2488399.40 2026-09-28 07:09:33 800/20000 prot-na_794.pdb -2221478.34 2026-09-28 07:10:17 900/20000 prot-na_894.pdb -1462096.11 2026-09-28 07:11:01 1000/20000 prot-na_994.pdb -1122838.30 2026-09-28 07:11:48 1100/20000 prot-na_1100.pdb -1587285.43 2026-09-28 07:12:34 1200/20000 prot-na_1200.pdb -1244225.43 2026-09-28 07:13:18 1300/20000 prot-na_1300.pdb -1787921.93 2026-09-28 07:14:03 1400/20000 prot-na_1400.pdb -2414652.70 2026-09-28 07:14:46 1500/20000 prot-na_1500.pdb -1597808.61 2026-09-28 07:15:30 1600/20000 prot-na_1600.pdb -1551013.00 2026-09-28 07:16:14 1700/20000 prot-na_1700.pdb -1451540.43 2026-09-28 07:16:58 1800/20000 prot-na_1800.pdb -2193087.45 2026-09-28 07:17:42 1900/20000 prot-na_1900.pdb -1681790.81 2026-09-28 07:18:27 2000/20000 prot-na_2000.pdb -2333770.57 2026-09-28 07:19:11 2100/20000 prot-na_2100.pdb -2354264.95 2026-09-28 07:19:55 2200/20000 prot-na_2200.pdb -1985934.62 2026-09-28 07:20:40 2300/20000 prot-na_2300.pdb -1706223.86 2026-09-28 07:21:24 2400/20000 prot-na_2400.pdb -1497054.30 2026-09-28 07:22:09 2500/20000 prot-na_2500.pdb -1249593.30 2026-09-28 07:22:53 2600/20000 prot-na_2600.pdb -1644393.73 2026-09-28 07:23:37 2700/20000 prot-na_2700.pdb -2489520.90 2026-09-28 07:24:22 2800/20000 prot-na_2800.pdb -2171287.95 2026-09-28 07:25:06 2900/20000 prot-na_2900.pdb -2505362.87 2026-09-28 07:25:50 3000/20000 prot-na_3000.pdb -2698071.52 2026-09-28 07:26:34 3100/20000 prot-na_3100.pdb -1623232.44 2026-09-28 07:27:18 3200/20000 prot-na_3200.pdb -1998835.30 2026-09-28 07:28:02 3300/20000 prot-na_3300.pdb -2156473.32 2026-09-28 07:28:46 3400/20000 prot-na_3400.pdb -1743094.20 2026-09-28 07:29:30 3500/20000 prot-na_3500.pdb -1678686.31 2026-09-28 07:30:14 3600/20000 prot-na_3600.pdb -1544882.58 2026-09-28 07:30:57 3700/20000 prot-na_3700.pdb -2056012.09 2026-09-28 07:31:42 3800/20000 prot-na_3800.pdb -1153199.23 2026-09-28 07:32:26 3900/20000 prot-na_3900.pdb -1813248.05 2026-09-28 07:33:10 4000/20000 prot-na_4000.pdb -1888783.28 2026-09-28 07:33:53 4100/20000 prot-na_4100.pdb -2158434.15 2026-09-28 07:34:37 4200/20000 prot-na_4200.pdb -1601335.99 2026-09-28 07:35:21 4300/20000 prot-na_4300.pdb -3623924.06 2026-09-28 07:36:04 4400/20000 prot-na_4400.pdb -3777303.60 2026-09-28 07:36:48 4500/20000 prot-na_4500.pdb -1444574.15 2026-09-28 07:37:32 4600/20000 prot-na_4600.pdb -1566952.17 2026-09-28 07:38:16 4700/20000 prot-na_4700.pdb -1902905.46 2026-09-28 07:39:00 4800/20000 prot-na_4800.pdb -2420638.51 2026-09-28 07:39:44 4900/20000 prot-na_4900.pdb -1794048.20 2026-09-28 07:40:28 5000/20000 prot-na_5000.pdb -2119339.81 2026-09-28 07:41:12 5100/20000 prot-na_5100.pdb -1532213.41 2026-09-28 07:41:55 5200/20000 prot-na_5200.pdb -1915422.20 2026-09-28 07:42:39 5300/20000 prot-na_5300.pdb -766132.57 2026-09-28 07:43:22 5400/20000 prot-na_5400.pdb -1099430.14 2026-09-28 07:44:07 5500/20000 prot-na_5500.pdb -1914276.89 2026-09-28 07:44:50 5600/20000 prot-na_5600.pdb -2174855.14 2026-09-28 07:45:33 5700/20000 prot-na_5700.pdb -1360107.65 2026-09-28 07:46:17 5800/20000 prot-na_5800.pdb -2966467.67 2026-09-28 07:47:01 5900/20000 prot-na_5900.pdb -1085547.45 2026-09-28 07:47:44 6000/20000 prot-na_6000.pdb -2944244.08 2026-09-28 07:48:27 6100/20000 prot-na_6100.pdb -1698596.87 2026-09-28 07:49:10 6200/20000 prot-na_6200.pdb -1827756.50 2026-09-28 07:49:54 6300/20000 prot-na_6300.pdb -2176302.09 2026-09-28 07:50:37 6400/20000 prot-na_6400.pdb -855143.59 2026-09-28 07:51:22 6500/20000 prot-na_6500.pdb -1849126.60 2026-09-28 07:52:06 6600/20000 prot-na_6600.pdb -1568107.45 2026-09-28 07:52:50 6700/20000 prot-na_6700.pdb -1910992.00 2026-09-28 07:53:34 6800/20000 prot-na_6800.pdb -1392448.57 2026-09-28 07:54:18 6900/20000 prot-na_6900.pdb -1706887.29 2026-09-28 07:55:01 7000/20000 prot-na_7000.pdb -1473823.29 2026-09-28 07:55:45 7100/20000 prot-na_7100.pdb -1100053.87 2026-09-28 07:56:30 7200/20000 prot-na_7200.pdb -1891505.87 2026-09-28 07:57:14 7300/20000 prot-na_7300.pdb -2126230.36 2026-09-28 07:57:58 7400/20000 prot-na_7400.pdb -2162944.74 2026-09-28 07:58:41 7500/20000 prot-na_7500.pdb -2149358.04 2026-09-28 07:59:25 7600/20000 prot-na_7600.pdb -2636868.87 2026-09-28 08:00:11 7700/20000 prot-na_7700.pdb -1668035.30 2026-09-28 08:00:59 7800/20000 prot-na_7800.pdb -1975361.98 2026-09-28 08:01:43 7900/20000 prot-na_7900.pdb -608246.57 2026-09-28 08:02:27 8000/20000 prot-na_8000.pdb -1399392.69 2026-09-28 08:03:11 8100/20000 prot-na_8100.pdb -770966.82 2026-09-28 08:03:58 8200/20000 prot-na_8200.pdb -1691963.64 2026-09-28 08:04:44 8300/20000 prot-na_8300.pdb -1827121.93 2026-09-28 08:05:28 8400/20000 prot-na_8400.pdb -1402089.93 2026-09-28 08:06:13 8500/20000 prot-na_8500.pdb -1435744.60 2026-09-28 08:06:57 8600/20000 prot-na_8600.pdb -1432791.14 2026-09-28 08:07:41 8700/20000 prot-na_8700.pdb -1087444.97 2026-09-28 08:08:26 8800/20000 prot-na_8800.pdb -2021523.48 2026-09-28 08:09:10 8900/20000 prot-na_8900.pdb -1539113.13 2026-09-28 08:09:53 9000/20000 prot-na_9000.pdb -1664167.68 2026-09-28 08:10:38 9100/20000 prot-na_9100.pdb -1807593.94 2026-09-28 08:11:23 9200/20000 prot-na_9200.pdb -2288891.87 2026-09-28 08:12:06 9300/20000 prot-na_9300.pdb -958983.90 2026-09-28 08:12:50 9400/20000 prot-na_9400.pdb -1624166.10 2026-09-28 08:13:34 9500/20000 prot-na_9500.pdb -2672791.21 2026-09-28 08:14:17 9600/20000 prot-na_9600.pdb -1421469.97 2026-09-28 08:15:01 9700/20000 prot-na_9700.pdb -682163.99 2026-09-28 08:15:44 9800/20000 prot-na_9800.pdb -2708245.73 2026-09-28 08:16:28 9900/20000 prot-na_9900.pdb -1710933.86 2026-09-28 08:17:11 10000/20000 prot-na_10000.pdb -1061596.69 2026-09-28 08:17:55 10100/20000 prot-na_10100.pdb -818973.45 2026-09-28 08:18:39 10200/20000 prot-na_10200.pdb -1407017.10 2026-09-28 08:19:23 10300/20000 prot-na_10300.pdb -1576387.91 2026-09-28 08:20:06 10400/20000 prot-na_10400.pdb -2935993.27 2026-09-28 08:20:49 10500/20000 prot-na_10500.pdb -1935570.18 2026-09-28 08:21:33 10600/20000 prot-na_10600.pdb -1429095.13 2026-09-28 08:22:16 10700/20000 prot-na_10700.pdb -1284368.37 2026-09-28 08:22:59 10800/20000 prot-na_10800.pdb -1345364.82 2026-09-28 08:23:44 10900/20000 prot-na_10900.pdb -1120392.00 2026-09-28 08:24:28 11000/20000 prot-na_11000.pdb -1333752.73 2026-09-28 08:25:11 11100/20000 prot-na_11100.pdb -1729437.07 2026-09-28 08:25:55 11200/20000 prot-na_11200.pdb -1040765.15 2026-09-28 08:26:38 11300/20000 prot-na_11300.pdb -1934988.58 2026-09-28 08:27:22 11400/20000 prot-na_11400.pdb -1346885.34 2026-09-28 08:28:05 11500/20000 prot-na_11500.pdb -2368706.77 2026-09-28 08:28:49 11600/20000 prot-na_11600.pdb -2233100.54 2026-09-28 08:29:32 11700/20000 prot-na_11700.pdb -2455731.70 2026-09-28 08:30:19 11800/20000 prot-na_11800.pdb -1451612.71 2026-09-28 08:31:04 11900/20000 prot-na_11900.pdb -1750289.60 2026-09-28 08:31:48 12000/20000 prot-na_12000.pdb -2664673.97 2026-09-28 08:32:36 12100/20000 prot-na_12100.pdb -1567673.95 2026-09-28 08:33:21 12200/20000 prot-na_12200.pdb -1269922.45 2026-09-28 08:34:05 12300/20000 prot-na_12300.pdb -1689873.09 2026-09-28 08:34:48 12400/20000 prot-na_12400.pdb -1702744.85 2026-09-28 08:35:31 12500/20000 prot-na_12500.pdb -1405186.60 2026-09-28 08:36:15 12600/20000 prot-na_12600.pdb -1901799.79 2026-09-28 08:36:59 12700/20000 prot-na_12700.pdb -1452879.18 2026-09-28 08:37:42 12800/20000 prot-na_12800.pdb -1317863.48 2026-09-28 08:38:26 12900/20000 prot-na_12900.pdb -1504383.43 2026-09-28 08:39:10 13000/20000 prot-na_13000.pdb -1758406.04 2026-09-28 08:39:54 13100/20000 prot-na_13100.pdb -1288646.87 2026-09-28 08:40:37 13200/20000 prot-na_13200.pdb -1744877.03 2026-09-28 08:41:22 13300/20000 prot-na_13300.pdb -1385203.63 2026-09-28 08:42:06 13400/20000 prot-na_13400.pdb -1976427.10 2026-09-28 08:42:50 13500/20000 prot-na_13500.pdb -2088383.89 2026-09-28 08:43:34 13600/20000 prot-na_13600.pdb -2953622.08 2026-09-28 08:44:18 13700/20000 prot-na_13700.pdb -2021548.60 2026-09-28 08:45:02 13800/20000 prot-na_13800.pdb -1316156.73 2026-09-28 08:45:46 13900/20000 prot-na_13900.pdb -1461692.00 2026-09-28 08:46:30 14000/20000 prot-na_14000.pdb -2180467.71 2026-09-28 08:47:14 14100/20000 prot-na_14100.pdb -1382026.35 2026-09-28 08:47:57 14200/20000 prot-na_14200.pdb -1852892.47 2026-09-28 08:48:41 14300/20000 prot-na_14300.pdb -1876712.08 2026-09-28 08:49:24 14400/20000 prot-na_14400.pdb -1955001.89 2026-09-28 08:50:08 14500/20000 prot-na_14500.pdb -1891675.66 2026-09-28 08:50:51 14600/20000 prot-na_14600.pdb -2247773.76 2026-09-28 08:51:35 14700/20000 prot-na_14700.pdb -470858.46 2026-09-28 08:52:18 14800/20000 prot-na_14800.pdb -1761205.99 2026-09-28 08:53:01 14900/20000 prot-na_14900.pdb -1734351.83 2026-09-28 08:53:45 15000/20000 prot-na_15000.pdb -2400938.39 2026-09-28 08:54:28 15100/20000 prot-na_15100.pdb -2273182.04 2026-09-28 08:55:11 15200/20000 prot-na_15200.pdb -952271.66 2026-09-28 08:55:55 15300/20000 prot-na_15300.pdb -1833953.15 2026-09-28 08:56:38 15400/20000 prot-na_15400.pdb -2020026.66 2026-09-28 08:57:21 15500/20000 prot-na_15500.pdb -1955288.10 2026-09-28 08:58:03 15600/20000 prot-na_15600.pdb -1284489.48 2026-09-28 08:58:47 15700/20000 prot-na_15700.pdb -1531129.83 2026-09-28 08:59:29 15800/20000 prot-na_15800.pdb -1977642.10 2026-09-28 09:00:12 15900/20000 prot-na_15900.pdb -1802077.11 2026-09-28 09:00:55 16000/20000 prot-na_16000.pdb -1038643.06 2026-09-28 09:01:42 16100/20000 prot-na_16100.pdb -930174.67 2026-09-28 09:02:26 16200/20000 prot-na_16200.pdb -1733204.88 2026-09-28 09:03:08 16300/20000 prot-na_16300.pdb -1141212.02 2026-09-28 09:03:52 16400/20000 prot-na_16400.pdb -2021340.69 2026-09-28 09:04:34 16500/20000 prot-na_16500.pdb -1249680.85 2026-09-28 09:05:17 16600/20000 prot-na_16600.pdb -1892799.06 2026-09-28 09:05:59 16700/20000 prot-na_16700.pdb -1331721.32 2026-09-28 09:06:41 16800/20000 prot-na_16800.pdb -1256517.00 2026-09-28 09:07:24 16900/20000 prot-na_16900.pdb -1425573.15 2026-09-28 09:08:06 17000/20000 prot-na_17000.pdb -1844843.72 2026-09-28 09:08:49 17100/20000 prot-na_17100.pdb -1505911.92 2026-09-28 09:09:31 17200/20000 prot-na_17200.pdb -1281479.21 2026-09-28 09:10:14 17300/20000 prot-na_17300.pdb -1487223.39 2026-09-28 09:10:56 17400/20000 prot-na_17400.pdb -1053479.95 2026-09-28 09:11:38 17500/20000 prot-na_17500.pdb -1442601.58 2026-09-28 09:12:21 17600/20000 prot-na_17600.pdb -1140487.28 2026-09-28 09:13:03 17700/20000 prot-na_17700.pdb -1487016.72 2026-09-28 09:13:45 17800/20000 prot-na_17800.pdb -1421177.70 2026-09-28 09:14:28 17900/20000 prot-na_17900.pdb -1901743.62 2026-09-28 09:15:10 18000/20000 prot-na_18000.pdb -1558167.80 2026-09-28 09:15:52 18100/20000 prot-na_18100.pdb -1029607.10 2026-09-28 09:16:35 18200/20000 prot-na_18200.pdb -1956054.12 2026-09-28 09:17:17 18300/20000 prot-na_18300.pdb -1554396.60 2026-09-28 09:17:59 18400/20000 prot-na_18400.pdb -1496571.67 2026-09-28 09:18:43 18500/20000 prot-na_18500.pdb -1583452.56 2026-09-28 09:19:25 18600/20000 prot-na_18600.pdb -499217.08 2026-09-28 09:20:08 18700/20000 prot-na_18700.pdb -2460641.71 2026-09-28 09:20:50 18800/20000 prot-na_18800.pdb -771656.12 2026-09-28 09:21:33 18900/20000 prot-na_18900.pdb -2013443.51 2026-09-28 09:22:15 19000/20000 prot-na_19000.pdb -1701114.31 2026-09-28 09:22:57 19100/20000 prot-na_19100.pdb -1278091.11 2026-09-28 09:23:40 19200/20000 prot-na_19200.pdb -1627617.33 2026-09-28 09:24:23 19300/20000 prot-na_19300.pdb -909072.02 2026-09-28 09:25:05 19400/20000 prot-na_19400.pdb -2696334.93 2026-09-28 09:25:48 19500/20000 prot-na_19500.pdb -1029764.58 2026-09-28 09:26:31 19600/20000 prot-na_19600.pdb -1910491.82 2026-09-28 09:27:16 19700/20000 prot-na_19700.pdb -1596814.89 2026-09-28 09:27:59 19800/20000 prot-na_19800.pdb -2065761.48 2026-09-28 09:28:43 19900/20000 prot-na_19900.pdb -970751.65 2026-09-28 09:29:26 20000/20000 prot-na_20000.pdb -1879307.01 2026-09-28 09:29:26 DARS scoring end 2026-09-28 09:29:26 Clustering (cuttoff: 5, nr_clust: 100 ) in progress... 2026-09-28 09:29:26 time python /home/rpdock/run_gramm//clustering_v4.py dars_out.txt list.txt 5 100 2026-09-28 09:29:26 100 best scored structures 2026-09-28 09:29:26 1 prot-na_2977.pdb -4150813.76 2026-09-28 09:29:26 2 prot-na_5555.pdb -4084152.62 2026-09-28 09:29:26 3 prot-na_5328.pdb -4057057.32 2026-09-28 09:29:26 4 prot-na_17256.pdb -4046471.75 2026-09-28 09:29:26 5 prot-na_10718.pdb -4039295.3 2026-09-28 09:29:26 6 prot-na_6027.pdb -3972042.37 2026-09-28 09:29:26 7 prot-na_112.pdb -3959453.05 2026-09-28 09:29:26 8 prot-na_2539.pdb -3916304.01 2026-09-28 09:29:26 9 prot-na_241.pdb -3884670.14 2026-09-28 09:29:26 10 prot-na_17913.pdb -3873288.25 2026-09-28 09:29:26 11 prot-na_17280.pdb -3853505.11 2026-09-28 09:29:26 12 prot-na_13049.pdb -3830813.01 2026-09-28 09:29:26 13 prot-na_4400.pdb -3777303.6 2026-09-28 09:29:26 14 prot-na_11868.pdb -3771556.28 2026-09-28 09:29:26 15 prot-na_8174.pdb -3753614.32 2026-09-28 09:29:26 16 prot-na_19350.pdb -3736186.28 2026-09-28 09:29:26 17 prot-na_70.pdb -3727405.03 2026-09-28 09:29:26 18 prot-na_9.pdb -3720197.53 2026-09-28 09:29:26 19 prot-na_9014.pdb -3710361.3 2026-09-28 09:29:26 20 prot-na_18373.pdb -3667336.35 2026-09-28 09:29:26 21 prot-na_18868.pdb -3663319.44 2026-09-28 09:29:26 22 prot-na_999.pdb -3642491.51 2026-09-28 09:29:26 23 prot-na_4300.pdb -3623924.06 2026-09-28 09:29:26 24 prot-na_56.pdb -3618907.71 2026-09-28 09:29:26 25 prot-na_10331.pdb -3597500.71 2026-09-28 09:29:26 26 prot-na_2160.pdb -3547663.46 2026-09-28 09:29:26 27 prot-na_3939.pdb -3546148.37 2026-09-28 09:29:26 28 prot-na_5075.pdb -3536582.01 2026-09-28 09:29:26 29 prot-na_3106.pdb -3529720.76 2026-09-28 09:29:26 30 prot-na_10201.pdb -3529362.61 2026-09-28 09:29:26 31 prot-na_14.pdb -3502066.92 2026-09-28 09:29:26 32 prot-na_16759.pdb -3492564.15 2026-09-28 09:29:26 33 prot-na_9113.pdb -3491842.67 2026-09-28 09:29:26 34 prot-na_2424.pdb -3478213.14 2026-09-28 09:29:26 35 prot-na_13510.pdb -3476446.91 2026-09-28 09:29:26 36 prot-na_1132.pdb -3473358.66 2026-09-28 09:29:26 37 prot-na_3377.pdb -3469237.89 2026-09-28 09:29:26 38 prot-na_9397.pdb -3463352.42 2026-09-28 09:29:26 39 prot-na_7260.pdb -3461819.09 2026-09-28 09:29:26 40 prot-na_2213.pdb -3459972.12 2026-09-28 09:29:26 41 prot-na_4222.pdb -3442664.45 2026-09-28 09:29:26 42 prot-na_8998.pdb -3440046.76 2026-09-28 09:29:26 43 prot-na_2218.pdb -3436873.18 2026-09-28 09:29:26 44 prot-na_7443.pdb -3434150.92 2026-09-28 09:29:26 45 prot-na_12027.pdb -3429854.85 2026-09-28 09:29:26 46 prot-na_14272.pdb -3428168.22 2026-09-28 09:29:26 47 prot-na_17275.pdb -3426158.65 2026-09-28 09:29:26 48 prot-na_254.pdb -3421682.66 2026-09-28 09:29:26 49 prot-na_6386.pdb -3408089.55 2026-09-28 09:29:26 50 prot-na_8688.pdb -3398339.42 2026-09-28 09:29:26 51 prot-na_55.pdb -3393542.29 2026-09-28 09:29:26 52 prot-na_15208.pdb -3392184.39 2026-09-28 09:29:26 53 prot-na_13992.pdb -3381008.33 2026-09-28 09:29:26 54 prot-na_186.pdb -3379846.92 2026-09-28 09:29:26 55 prot-na_6420.pdb -3379391.35 2026-09-28 09:29:26 56 prot-na_1239.pdb -3373982.96 2026-09-28 09:29:26 57 prot-na_8978.pdb -3356356.32 2026-09-28 09:29:26 58 prot-na_2227.pdb -3355467.13 2026-09-28 09:29:26 59 prot-na_19215.pdb -3354864.12 2026-09-28 09:29:26 60 prot-na_12599.pdb -3351249.49 2026-09-28 09:29:26 61 prot-na_8030.pdb -3350142.26 2026-09-28 09:29:26 62 prot-na_10101.pdb -3349672.0 2026-09-28 09:29:26 63 prot-na_1455.pdb -3341452.45 2026-09-28 09:29:26 64 prot-na_93.pdb -3338255.6 2026-09-28 09:29:26 65 prot-na_4645.pdb -3337602.27 2026-09-28 09:29:26 66 prot-na_9433.pdb -3329796.65 2026-09-28 09:29:26 67 prot-na_346.pdb -3329520.14 2026-09-28 09:29:26 68 prot-na_9276.pdb -3327193.08 2026-09-28 09:29:26 69 prot-na_2827.pdb -3312945.82 2026-09-28 09:29:26 70 prot-na_1846.pdb -3311463.76 2026-09-28 09:29:26 71 prot-na_17326.pdb -3310845.4 2026-09-28 09:29:26 72 prot-na_106.pdb -3307174.36 2026-09-28 09:29:26 73 prot-na_4307.pdb -3298151.17 2026-09-28 09:29:26 74 prot-na_11414.pdb -3297935.56 2026-09-28 09:29:26 75 prot-na_1620.pdb -3290641.78 2026-09-28 09:29:26 76 prot-na_7769.pdb -3288579.71 2026-09-28 09:29:26 77 prot-na_6487.pdb -3288248.31 2026-09-28 09:29:26 78 prot-na_8852.pdb -3282023.86 2026-09-28 09:29:26 79 prot-na_874.pdb -3272250.08 2026-09-28 09:29:26 80 prot-na_6835.pdb -3270553.82 2026-09-28 09:29:26 81 prot-na_6055.pdb -3270302.31 2026-09-28 09:29:26 82 prot-na_5519.pdb -3269022.25 2026-09-28 09:29:26 83 prot-na_13204.pdb -3267058.39 2026-09-28 09:29:26 84 prot-na_6529.pdb -3258633.35 2026-09-28 09:29:26 85 prot-na_467.pdb -3258166.53 2026-09-28 09:29:26 86 prot-na_146.pdb -3256834.15 2026-09-28 09:29:26 87 prot-na_374.pdb -3253954.55 2026-09-28 09:29:26 88 prot-na_493.pdb -3242904.3 2026-09-28 09:29:26 89 prot-na_5097.pdb -3241657.99 2026-09-28 09:29:26 90 prot-na_6050.pdb -3239735.66 2026-09-28 09:29:26 91 prot-na_1066.pdb -3239314.52 2026-09-28 09:29:26 92 prot-na_18393.pdb -3238558.38 2026-09-28 09:29:26 93 prot-na_11937.pdb -3236367.57 2026-09-28 09:29:26 94 prot-na_2301.pdb -3234950.57 2026-09-28 09:29:26 95 prot-na_18854.pdb -3233441.56 2026-09-28 09:29:26 96 prot-na_13654.pdb -3229621.66 2026-09-28 09:29:26 97 prot-na_6425.pdb -3228254.85 2026-09-28 09:29:26 98 prot-na_9820.pdb -3222358.42 2026-09-28 09:29:26 99 prot-na_397.pdb -3218019.31 2026-09-28 09:29:26 100 prot-na_6603.pdb -3215613.87 2026-09-28 09:29:26 Chains: B 2026-09-28 09:29:44 100 best scored structures 2026-09-28 09:29:44 GRAMM analysis selected for further analysis: prot-na_25 2026-09-28 09:29:44 Sent to refinement: clusters_not_found|prot-na_2977.pdb|prot-na_5555.pdb|prot-na_5328.pdb 2026-09-28 09:29:44 Sent to refinement: clusters_not_found|prot-na_2977.pdb|prot-na_5555.pdb|prot-na_5328.pdb 2026-09-28 09:29:44 DARS clustering end 2026-09-28 09:29:44 MC (refinement) init 2026-09-28 09:29:44 python /home/rpdock/run_gramm//run_mc.py -f dars_to_mc.txt -d /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/ 2026-09-28 09:29:44 Refinement of #1 /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/prot-na_2977.pdb 2026-09-28 09:29:44 python /home/rpdock/mc/MC.py -s 295 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_2977/prot-na_2977.pdb 2026-09-28 09:32:09 Refinement of #2 /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/prot-na_5555.pdb 2026-09-28 09:32:09 python /home/rpdock/mc/MC.py -s 295 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5555/prot-na_5555.pdb 2026-09-28 09:34:33 Refinement of #3 /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/prot-na_5328.pdb 2026-09-28 09:34:33 python /home/rpdock/mc/MC.py -s 295 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5328/prot-na_5328.pdb 2026-09-28 09:37:10 start - parameters: File name /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_2977/prot-na_2977.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_2977/prot-na_2977.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue A1 in the chain B has not P atom 0 - -2586297.08 -1828725.25 -1557571.83 800000.00 1 R -2578689.75 -1837250.73 -1541439.02 800000.00 T= 15000.0 K progress 0.338983050847 2 T -2676030.06 -1667657.11 -1408372.95 400000.00 T= 14950.1525424 K progress 0.677966101695 3 T -2788111.10 -1718570.44 -1469540.67 400000.00 T= 14900.3050847 K progress 1.01694915254 4 R -2791666.72 -1741209.29 -1450457.43 400000.00 T= 14850.4576271 K progress 1.35593220339 5 T -2675122.60 -1572688.53 -1302434.07 200000.00 T= 14750.7627119 K progress 1.69491525424 6 R -2692291.61 -1600434.24 -1291857.37 200000.00 T= 14700.9152542 K progress 2.03389830508 7 R -2663205.62 -1569175.33 -1294030.29 200000.00 T= 14651.0677966 K progress 2.37288135593 8 T -2807696.57 -1714868.26 -1392828.31 300000.00 T= 14501.5254237 K progress 2.71186440678 9 R -2879113.93 -1700038.95 -1379074.98 200000.00 T= 14451.6779661 K progress 3.05084745763 10 R -2805673.26 -1716573.75 -1389099.50 300000.00 T= 14152.5932203 K progress 3.38983050847 11 R -2789641.96 -1704156.62 -1385485.34 300000.00 T= 14003.0508475 K progress 3.72881355932 12 R -2845991.60 -1682191.44 -1363800.17 200000.00 T= 13953.2033898 K progress 4.06779661017 13 R -2854150.54 -1686694.14 -1367456.40 200000.00 T= 13853.5084746 K progress 4.40677966102 14 T -2716149.12 -1606717.11 -1309432.01 200000.00 T= 13703.9661017 K progress 4.74576271186 15 R -2789522.22 -1583014.34 -1306507.88 100000.00 T= 13454.7288136 K progress 5.08474576271 16 R -3043323.18 -1722238.43 -1421084.75 100000.00 T= 13305.1864407 K progress 5.42372881356 17 R -2904625.56 -1702652.62 -1401972.94 200000.00 T= 12956.2542373 K progress 5.76271186441 18 R -2900787.01 -1698763.80 -1402023.21 200000.00 T= 12856.559322 K progress 6.10169491525 19 T -2865714.57 -1676890.36 -1388824.21 200000.00 T= 12756.8644068 K progress 6.4406779661 20 T -2943656.97 -1776052.41 -1467604.56 300000.00 T= 12557.4745763 K progress 6.77966101695 21 T -3004838.31 -1746954.84 -1457883.47 200000.00 T= 12358.0847458 K progress 7.1186440678 22 R -2722458.69 -1666568.36 -1355890.33 300000.00 T= 11859.6101695 K progress 7.45762711864 23 R -2714075.46 -1603173.22 -1310902.24 200000.00 T= 11660.220339 K progress 7.79661016949 24 T -2761571.21 -1633002.58 -1328568.63 200000.00 T= 11560.5254237 K progress 8.13559322034 25 T -2976467.74 -1735773.41 -1440694.33 200000.00 T= 11410.9830508 K progress 8.47457627119 26 R -2772129.87 -1628150.49 -1443979.38 300000.00 T= 11261.440678 K progress 8.81355932203 27 R -2689301.84 -1593669.21 -1295632.64 200000.00 T= 11211.5932203 K progress 9.15254237288 28 T -2509456.66 -1511561.21 -1197895.45 200000.00 T= 11161.7457627 K progress 9.49152542373 29 R -3007153.52 -1638932.31 -1368221.21 0.00 T= 10962.3559322 K progress 9.83050847458 30 R -3008320.28 -1640176.77 -1368143.51 0.00 T= 9566.62711864 K progress 10.1694915254 31 R -3012590.73 -1640231.73 -1372359.00 0.00 T= 8270.59322034 K progress 10.5084745763 32 R -3012617.97 -1639894.32 -1372723.66 0.00 T= 6326.54237288 K progress 10.8474576271 33 T -2915939.41 -1685852.14 -1430087.27 200000.00 T= 5828.06779661 K progress 11.186440678 34 R -2950582.75 -1774068.25 -1476514.50 300000.00 T= 5778.22033898 K progress 11.5254237288 35 R -2973637.86 -1786118.44 -1487519.42 300000.00 T= 5030.50847458 K progress 11.8644067797 36 R -2963830.53 -1778809.83 -1485020.70 300000.00 T= 4980.66101695 K progress 12.2033898305 37 R -2987322.83 -1788955.77 -1498367.05 300000.00 T= 4532.03389831 K progress 12.5423728814 38 T -2942674.37 -1714577.35 -1528097.02 300000.00 T= 4482.18644068 K progress 12.8813559322 39 R -2959614.28 -1722503.62 -1537110.66 300000.00 T= 4232.94915254 K progress 13.2203389831 40 T -3230864.71 -1882656.79 -1648207.92 300000.00 T= 4083.40677966 K progress 13.5593220339 41 R -3264392.41 -1895605.24 -1668787.17 300000.00 T= 3634.77966102 K progress 13.8983050847 Save no big msg save short traj msg save best.pdb msg save plot e_step.png start - parameters: File name /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5555/prot-na_5555.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5555/prot-na_5555.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue A1 in the chain B has not P atom 0 - -916052.40 -1935897.27 -1680155.12 2700000.00 1 R -760181.09 -1908198.64 -1651982.45 2800000.00 T= 14850.4576271 K progress 0.338983050847 2 R -880985.54 -1892394.27 -1688591.28 2700000.00 T= 14800.6101695 K progress 0.677966101695 3 R -1053407.82 -1927013.84 -1626393.98 2500000.00 T= 14750.7627119 K progress 1.01694915254 4 T -1126205.99 -1886393.39 -1639812.60 2400000.00 T= 14651.0677966 K progress 1.35593220339 5 R -1176688.63 -1889485.73 -1687202.90 2400000.00 T= 14551.3728814 K progress 1.69491525424 6 T -1742215.90 -1880628.64 -1661587.27 1800000.00 T= 14451.6779661 K progress 2.03389830508 7 R -1767155.21 -1891356.99 -1675798.22 1800000.00 T= 14152.5932203 K progress 2.37288135593 8 T -1884128.67 -1679377.40 -1504751.27 1300000.00 T= 14102.7457627 K progress 2.71186440678 9 T -2065643.00 -1809056.38 -1656586.62 1400000.00 T= 14052.8983051 K progress 3.05084745763 10 R -2013373.27 -1793772.08 -1619601.19 1400000.00 T= 13753.8135593 K progress 3.38983050847 11 R -2009411.54 -1791164.33 -1618247.21 1400000.00 T= 13604.2711864 K progress 3.72881355932 12 T -1941636.24 -1650020.44 -1491615.80 1200000.00 T= 11211.5932203 K progress 4.06779661017 13 R -1884802.57 -1621129.89 -1463672.68 1200000.00 T= 11161.7457627 K progress 4.40677966102 14 R -1873550.11 -1612660.45 -1460889.65 1200000.00 T= 10762.9661017 K progress 4.74576271186 15 R -1883051.89 -1617459.92 -1465591.97 1200000.00 T= 10713.1186441 K progress 5.08474576271 16 R -1881922.81 -1623730.86 -1458191.95 1200000.00 T= 10613.4237288 K progress 5.42372881356 17 T -2210894.50 -1740442.33 -1570452.16 1100000.00 T= 10563.5762712 K progress 5.76271186441 18 R -2202439.94 -1730714.57 -1571725.37 1100000.00 T= 10364.1864407 K progress 6.10169491525 19 R -2242094.98 -1750047.76 -1592047.22 1100000.00 T= 10065.1016949 K progress 6.4406779661 20 R -2105271.61 -1747958.78 -1557312.83 1200000.00 T= 8719.22033898 K progress 6.77966101695 21 R -2052092.27 -1724400.06 -1527692.21 1200000.00 T= 8370.28813559 K progress 7.1186440678 22 R -2057617.72 -1723094.71 -1534523.01 1200000.00 T= 7373.33898305 K progress 7.45762711864 23 R -2056191.92 -1716926.76 -1539265.17 1200000.00 T= 5977.61016949 K progress 7.79661016949 24 R -2050326.79 -1721286.87 -1529039.91 1200000.00 T= 5528.98305085 K progress 8.13559322034 25 R -2096665.22 -1741963.65 -1554701.58 1200000.00 T= 5379.44067797 K progress 8.47457627119 26 R -2232738.47 -1747670.84 -1585067.64 1100000.00 T= 5329.59322034 K progress 8.81355932203 27 R -2235317.39 -1748794.26 -1586523.14 1100000.00 T= 4980.66101695 K progress 9.15254237288 28 R -2222074.37 -1739198.72 -1582875.66 1100000.00 T= 4432.33898305 K progress 9.49152542373 29 R -2207548.60 -1733776.33 -1573772.27 1100000.00 T= 3485.23728814 K progress 9.83050847458 30 R -2212575.80 -1735832.16 -1576743.64 1100000.00 T= 2587.98305085 K progress 10.1694915254 31 R -2214153.66 -1733537.59 -1580616.07 1100000.00 T= 2239.05084746 K progress 10.5084745763 32 R -2209337.91 -1732232.23 -1577105.68 1100000.00 T= 2139.3559322 K progress 10.8474576271 33 R -2214196.55 -1733367.48 -1580829.07 1100000.00 T= 1939.96610169 K progress 11.186440678 34 R -2229084.07 -1750361.29 -1578722.78 1100000.00 T= 1591.03389831 K progress 11.5254237288 Save no big msg save short traj msg save best.pdb msg save plot e_step.png start - parameters: File name /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5328/prot-na_5328.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5328/prot-na_5328.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue A1 in the chain B has not P atom 0 - -2431637.27 -1799461.11 -1532176.16 900000.00 1 R -2464118.70 -1826080.36 -1538038.35 900000.00 T= 15000.0 K progress 0.338983050847 2 R -2491060.14 -1854669.21 -1536390.92 900000.00 T= 14950.1525424 K progress 0.677966101695 3 T -2858938.31 -1808603.70 -1550334.61 500000.00 T= 14900.3050847 K progress 1.01694915254 4 R -2893833.62 -1831672.06 -1562161.56 500000.00 T= 14800.6101695 K progress 1.35593220339 5 T -2914272.11 -1738254.38 -1476017.73 300000.00 T= 14700.9152542 K progress 1.69491525424 6 T -2866303.12 -1706057.28 -1460245.84 300000.00 T= 14501.5254237 K progress 2.03389830508 7 T -2742245.16 -1740308.97 -1501936.19 500000.00 T= 14451.6779661 K progress 2.37288135593 8 T -2937891.03 -1845027.34 -1592863.69 500000.00 T= 14351.9830508 K progress 2.71186440678 9 R -2927689.90 -1846050.44 -1581639.46 500000.00 T= 14252.2881356 K progress 3.05084745763 10 R -3036226.87 -1831342.47 -1704884.40 500000.00 T= 14152.5932203 K progress 3.38983050847 11 R -2990288.24 -1814081.28 -1676206.97 500000.00 T= 14003.0508475 K progress 3.72881355932 12 R -3077774.83 -1849881.49 -1727893.35 500000.00 T= 13903.3559322 K progress 4.06779661017 13 R -3105607.79 -1864870.25 -1740737.54 500000.00 T= 13654.1186441 K progress 4.40677966102 14 R -3186319.72 -1945181.94 -1741137.78 500000.00 T= 13554.4237288 K progress 4.74576271186 15 R -3057367.22 -1908906.64 -1648460.58 500000.00 T= 11959.3050847 K progress 5.08474576271 16 T -3038156.31 -1942339.89 -1695816.42 600000.00 T= 11909.4576271 K progress 5.42372881356 17 T -3053808.71 -1942773.90 -1711034.81 600000.00 T= 11809.7627119 K progress 5.76271186441 18 R -3018247.93 -1914546.39 -1703701.54 600000.00 T= 11710.0677966 K progress 6.10169491525 19 R -3014811.19 -1919410.69 -1695400.49 600000.00 T= 11660.220339 K progress 6.4406779661 20 T -3026796.48 -1775040.21 -1551756.27 300000.00 T= 11610.3728814 K progress 6.77966101695 21 R -3017968.44 -1769556.78 -1548411.66 300000.00 T= 11460.8305085 K progress 7.1186440678 22 R -3050275.59 -1790019.66 -1560255.93 300000.00 T= 11410.9830508 K progress 7.45762711864 23 R -3141900.28 -1842510.49 -1599389.79 300000.00 T= 11311.2881356 K progress 7.79661016949 24 R -3141900.28 -1842510.49 -1599389.79 300000.00 T= 11062.0508475 K progress 8.13559322034 25 R -3150921.04 -1845833.24 -1605087.80 300000.00 T= 10862.6610169 K progress 8.47457627119 26 T -3098489.43 -1868595.34 -1629894.09 400000.00 T= 10762.9661017 K progress 8.81355932203 27 R -3283121.22 -1909238.64 -1673882.58 300000.00 T= 10713.1186441 K progress 9.15254237288 28 T -3306303.85 -1864155.23 -1642148.63 200000.00 T= 10613.4237288 K progress 9.49152542373 29 R -3321629.27 -1875063.07 -1646566.20 200000.00 T= 10513.7288136 K progress 9.83050847458 30 R -3283962.09 -1848794.51 -1635167.58 200000.00 T= 10314.3389831 K progress 10.1694915254 31 R -3265994.03 -1840373.35 -1625620.67 200000.00 T= 10164.7966102 K progress 10.5084745763 32 R -3318687.07 -1876612.77 -1642074.30 200000.00 T= 10065.1016949 K progress 10.8474576271 33 R -3300046.17 -1858726.12 -1641320.05 200000.00 T= 9915.55932203 K progress 11.186440678 34 R -3310745.37 -1873632.07 -1637113.30 200000.00 T= 9666.3220339 K progress 11.5254237288 35 R -3294156.62 -1857101.37 -1637055.25 200000.00 T= 9566.62711864 K progress 11.8644067797 36 T -3292210.66 -1860731.13 -1631479.53 200000.00 T= 9516.77966102 K progress 12.2033898305 37 R -3292210.66 -1860731.13 -1631479.53 200000.00 T= 9317.38983051 K progress 12.5423728814 38 R -3300138.93 -1870580.46 -1629558.47 200000.00 T= 9217.69491525 K progress 12.8813559322 39 R -3316819.46 -1857542.99 -1659276.47 200000.00 T= 8968.45762712 K progress 13.2203389831 40 R -3340088.23 -1873697.03 -1666391.20 200000.00 T= 8719.22033898 K progress 13.5593220339 41 R -3309224.75 -1862783.27 -1646441.48 200000.00 T= 8370.28813559 K progress 13.8983050847 42 R -3336362.77 -1876415.31 -1659947.46 200000.00 T= 8121.05084746 K progress 14.2372881356 43 R -3332152.74 -1867009.15 -1665143.59 200000.00 T= 8021.3559322 K progress 14.5762711864 44 T -3329182.27 -1852550.51 -1576631.76 100000.00 T= 7971.50847458 K progress 14.9152542373 45 T -3294192.47 -1827147.45 -1567045.02 100000.00 T= 7772.11864407 K progress 15.2542372881 46 R -3194407.23 -1759511.95 -1534895.28 100000.00 T= 7522.88135593 K progress 15.593220339 47 R -3225144.97 -1790300.74 -1534844.23 100000.00 T= 7323.49152542 K progress 15.9322033898 48 R -3331728.54 -1846145.57 -1585582.97 100000.00 T= 6874.86440678 K progress 16.2711864407 49 R -3264833.37 -1808731.88 -1556101.49 100000.00 T= 6476.08474576 K progress 16.6101694915 50 R -3236976.10 -1792030.94 -1544945.16 100000.00 T= 6426.23728814 K progress 16.9491525424 51 R -3220359.08 -1785558.75 -1534800.33 100000.00 T= 6276.69491525 K progress 17.2881355932 52 R -3287247.33 -1819422.86 -1567824.47 100000.00 T= 6226.84745763 K progress 17.6271186441 53 R -3295804.35 -1816712.36 -1579091.98 100000.00 T= 6127.15254237 K progress 17.9661016949 54 R -3316801.32 -1835634.08 -1581167.25 100000.00 T= 5977.61016949 K progress 18.3050847458 55 R -3256350.21 -1805723.90 -1550626.31 100000.00 T= 5628.6779661 K progress 18.6440677966 56 R -3275777.70 -1814802.49 -1560975.22 100000.00 T= 5229.89830508 K progress 18.9830508475 57 R -3321531.47 -1838288.82 -1583242.65 100000.00 T= 5180.05084746 K progress 19.3220338983 58 R -3201976.56 -1770167.24 -1531809.32 100000.00 T= 5080.3559322 K progress 19.6610169492 59 T -3339297.61 -1859232.79 -1580064.82 100000.00 T= 4581.88135593 K progress 20.0 60 R -3407843.21 -1890126.77 -1617716.44 100000.00 T= 4382.49152542 K progress 20.3389830508 61 R -3380426.11 -1895795.20 -1584630.92 100000.00 T= 4332.6440678 K progress 20.6779661017 62 R -3428654.80 -1904798.95 -1623855.85 100000.00 T= 3435.38983051 K progress 21.0169491525 63 R -3422502.78 -1911808.27 -1610694.50 100000.00 T= 2587.98305085 K progress 21.3559322034 64 R -3428864.21 -1899195.16 -1629669.05 100000.00 T= 2388.59322034 K progress 21.6949152542 Save no big msg save short traj msg save best.pdb msg save plot e_step.png Mon Sep 28 09:29:44 2026 ['prot-na_2977.pdb', 'prot-na_5555.pdb', 'prot-na_5328.pdb'] msg Refinement of #1 /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/prot-na_2977.pdb dir: /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/ file: prot-na_2977.pdb find `pwd` -iname prot-na_2977.pdb copy /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/prot-na_25/prot-na_2977.pdb to /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_2977/prot-na_2977.pdb cmd: python /home/rpdock/mc/MC.py -s 295 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_2977/prot-na_2977.pdb msg python /home/rpdock/mc/MC.py -s 295 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_2977/prot-na_2977.pdb run_mc::OK! = stderr empty msg Refinement of #2 /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/prot-na_5555.pdb dir: /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/ file: prot-na_5555.pdb find `pwd` -iname prot-na_5555.pdb copy /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/prot-na_25/prot-na_5555.pdb to /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5555/prot-na_5555.pdb cmd: python /home/rpdock/mc/MC.py -s 295 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5555/prot-na_5555.pdb msg python /home/rpdock/mc/MC.py -s 295 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5555/prot-na_5555.pdb run_mc::OK! = stderr empty msg Refinement of #3 /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/prot-na_5328.pdb dir: /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/ file: prot-na_5328.pdb find `pwd` -iname prot-na_5328.pdb copy /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093/prot-na_25/prot-na_5328.pdb to /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5328/prot-na_5328.pdb cmd: python /home/rpdock/mc/MC.py -s 295 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5328/prot-na_5328.pdb msg python /home/rpdock/mc/MC.py -s 295 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5328/prot-na_5328.pdb run_mc::OK! = stderr empty 2026-09-28 09:37:10 npdock::MC (refinement) end 2026-09-28 09:37:10 npdock::OK 2026-09-28 09:37:10 Set finished status of c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093