2026-04-28 20:45:41,574 INFO - start - parameters: File name /home/rpdock/web/media/jobs/3d411e53-5cb9-4307-9924-83be5dc86afe//ref_struc/prot-na_3910/prot-na_3910.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-04-28 20:45:44,790 INFO - step #1 R -2814922.69 -1541497.76 -1473424.93 200000.00 T= 15000.00 K 2026-04-28 20:45:47,341 INFO - step #2 R -2608930.94 -1538655.56 -1470275.38 400000.00 T= 14955.89 K 2026-04-28 20:45:48,458 INFO - step #3 R -2609362.81 -1546666.76 -1462696.05 400000.00 T= 14941.18 K 2026-04-28 20:45:51,844 INFO - step #4 R -2640565.30 -1557041.53 -1483523.78 400000.00 T= 14882.36 K 2026-04-28 20:45:52,941 INFO - step #5 R -2818975.37 -1550704.37 -1468271.00 200000.00 T= 14867.66 K 2026-04-28 20:45:55,498 INFO - step #6 R -3001643.14 -1533608.89 -1468034.25 0.00 T= 14823.54 K 2026-04-28 20:45:57,467 INFO - step #7 R -2869840.30 -1473835.90 -1396004.39 0.00 T= 14794.13 K 2026-04-28 20:45:58,491 INFO - step #8 T -2870491.83 -1507130.78 -1463361.05 100000.00 T= 14779.43 K 2026-04-28 20:46:02,670 INFO - step #9 R -2653463.77 -1512172.13 -1441291.64 300000.00 T= 14705.90 K 2026-04-28 20:46:05,533 INFO - step #10 R -2761489.83 -1501203.90 -1460285.92 200000.00 T= 14661.79 K 2026-04-28 20:46:07,303 INFO - step #11 R -2874624.65 -1513854.54 -1460770.11 100000.00 T= 14632.38 K 2026-04-28 20:46:09,389 INFO - step #12 R -2757240.97 -1514436.97 -1442804.00 200000.00 T= 14602.97 K 2026-04-28 20:46:14,379 INFO - step #13 T -2682252.07 -1427677.06 -1354575.01 100000.00 T= 14514.74 K 2026-04-28 20:46:20,152 INFO - step #14 R -2698816.42 -1391273.41 -1307543.01 0.00 T= 14411.80 K 2026-04-28 20:46:21,141 INFO - step #15 R -2721063.78 -1395609.28 -1325454.50 0.00 T= 14397.10 K 2026-04-28 20:46:22,504 INFO - step #16 R -2641111.70 -1410709.21 -1330402.50 100000.00 T= 14382.39 K 2026-04-28 20:46:24,266 INFO - step #17 T -2441061.80 -1321442.40 -1219619.40 100000.00 T= 14352.98 K 2026-04-28 20:46:25,286 INFO - step #18 R -2603384.22 -1356918.52 -1246465.71 0.00 T= 14338.28 K 2026-04-28 20:46:27,075 INFO - step #19 R -2496367.29 -1298145.59 -1198221.70 0.00 T= 14308.87 K 2026-04-28 20:46:28,625 INFO - step #20 R -2444868.51 -1266655.83 -1178212.69 0.00 T= 14294.16 K 2026-04-28 20:46:29,688 INFO - step #21 T -2373787.03 -1243789.93 -1129997.10 0.00 T= 14279.46 K 2026-04-28 20:46:30,734 INFO - step #22 R -2398763.32 -1244604.44 -1154158.89 0.00 T= 14264.75 K 2026-04-28 20:46:31,738 INFO - step #23 R -2420149.40 -1257687.89 -1162461.51 0.00 T= 14250.05 K 2026-04-28 20:46:32,744 INFO - step #24 R -2445637.68 -1273207.14 -1172430.54 0.00 T= 14235.34 K 2026-04-28 20:46:34,296 INFO - step #25 T -2599530.48 -1361287.51 -1238242.97 0.00 T= 14220.64 K 2026-04-28 20:46:36,094 INFO - step #26 R -2589818.30 -1355267.06 -1234551.24 0.00 T= 14191.23 K 2026-04-28 20:46:37,083 INFO - step #27 T -2497901.71 -1276128.68 -1221773.04 0.00 T= 14176.52 K 2026-04-28 20:46:38,087 INFO - step #28 R -2587583.08 -1338732.12 -1248850.96 0.00 T= 14161.82 K 2026-04-28 20:46:39,068 INFO - step #29 R -2584203.14 -1338735.40 -1245467.74 0.00 T= 14147.11 K 2026-04-28 20:46:44,040 INFO - step #30 T -2589447.26 -1329783.19 -1259664.07 0.00 T= 14058.88 K 2026-04-28 20:46:46,582 INFO - step #31 R -2588329.36 -1327577.93 -1260751.43 0.00 T= 14029.47 K 2026-04-28 20:46:48,361 INFO - step #32 R -2599104.49 -1335038.79 -1264065.70 0.00 T= 14000.06 K 2026-04-28 20:46:49,354 INFO - step #33 T -2778058.91 -1568335.94 -1509722.97 300000.00 T= 13985.36 K 2026-04-28 20:46:52,738 INFO - step #34 T -2935712.08 -1595533.06 -1540179.02 200000.00 T= 13926.54 K 2026-04-28 20:46:56,944 INFO - step #35 R -2829752.59 -1555863.38 -1473889.21 200000.00 T= 13853.01 K 2026-04-28 20:46:59,535 INFO - step #36 T -2897615.63 -1541113.99 -1456501.63 100000.00 T= 13808.90 K 2026-04-28 20:47:00,540 INFO - step #37 R -2914131.02 -1549003.69 -1465127.33 100000.00 T= 13794.19 K 2026-04-28 20:47:03,271 INFO - step #38 R -2851490.72 -1509077.34 -1442413.39 100000.00 T= 13750.08 K 2026-04-28 20:47:10,157 INFO - step #39 T -2694748.50 -1487037.61 -1407710.89 200000.00 T= 13647.14 K 2026-04-28 20:47:11,152 INFO - step #40 T -2721874.29 -1489254.49 -1432619.80 200000.00 T= 13632.44 K 2026-04-28 20:47:12,973 INFO - step #41 R -2899150.40 -1532169.85 -1466980.55 100000.00 T= 13603.03 K 2026-04-28 20:47:14,776 INFO - step #42 R -2679578.16 -1583099.66 -1496478.51 400000.00 T= 13573.62 K 2026-04-28 20:47:16,624 INFO - step #43 R -2724122.87 -1608038.26 -1516084.60 400000.00 T= 13544.21 K 2026-04-28 20:47:18,441 INFO - step #44 T -2740684.86 -1562960.63 -1477724.22 300000.00 T= 13514.80 K 2026-04-28 20:47:19,441 INFO - step #45 R -2651735.67 -1516690.55 -1435045.12 300000.00 T= 13500.09 K 2026-04-28 20:47:20,439 INFO - step #46 R -2808303.28 -1561615.90 -1446687.37 200000.00 T= 13485.39 K 2026-04-28 20:47:23,793 INFO - step #47 R -2604686.43 -1537494.24 -1467192.18 400000.00 T= 13426.57 K 2026-04-28 20:47:25,580 INFO - step #48 T -2824650.53 -1651395.78 -1573254.75 400000.00 T= 13397.16 K 2026-04-28 20:47:30,894 INFO - step #49 T -2903765.74 -1640302.56 -1563463.18 300000.00 T= 13323.63 K 2026-04-28 20:47:48,234 INFO - step #50 T -2643064.49 -1757514.94 -1685549.54 800000.00 T= 13014.83 K 2026-04-28 20:47:49,280 INFO - step #51 R -2316042.33 -1802161.05 -1713881.28 1200000.00 T= 13000.12 K 2026-04-28 20:47:50,322 INFO - step #52 T -2526890.99 -1707354.18 -1619536.81 800000.00 T= 12985.42 K 2026-04-28 20:47:52,126 INFO - step #53 T -2537716.05 -1560950.81 -1476765.24 500000.00 T= 12956.01 K 2026-04-28 20:47:53,913 INFO - step #54 T -2631499.52 -1557231.06 -1474268.47 400000.00 T= 12926.60 K 2026-04-28 20:47:57,324 INFO - step #55 T -2665251.57 -1542724.41 -1422527.16 300000.00 T= 12867.78 K 2026-04-28 20:47:58,331 INFO - step #56 T -2606254.94 -1581537.80 -1524717.14 500000.00 T= 12853.07 K 2026-04-28 20:48:00,966 INFO - step #57 R -2398644.32 -1518560.85 -1480083.47 600000.00 T= 12808.96 K 2026-04-28 20:48:02,847 INFO - step #58 T -2510312.23 -1391187.09 -1319125.14 200000.00 T= 12779.55 K 2026-04-28 20:48:05,506 INFO - step #59 T -2432676.44 -1302185.46 -1230490.98 100000.00 T= 12735.43 K 2026-04-28 20:48:08,036 INFO - step #60 T -2582190.20 -1478379.52 -1403810.68 300000.00 T= 12720.73 K 2026-04-28 20:48:09,842 INFO - step #61 R -2577612.38 -1478150.86 -1399461.53 300000.00 T= 12691.32 K 2026-04-28 20:48:10,847 INFO - step #62 R -2663507.60 -1759146.09 -1604361.51 700000.00 T= 12676.61 K 2026-04-28 20:48:15,076 INFO - step #63 R -2983914.63 -1689402.39 -1594512.24 300000.00 T= 12603.09 K 2026-04-28 20:48:16,906 INFO - step #64 R -3111146.90 -1773350.79 -1637796.11 300000.00 T= 12573.68 K 2026-04-28 20:48:18,699 INFO - step #65 T -3072649.80 -1900183.94 -1772465.85 600000.00 T= 12544.27 K 2026-04-28 20:48:22,136 INFO - step #66 R -3095481.27 -1837805.26 -1757676.02 500000.00 T= 12485.45 K 2026-04-28 20:48:26,385 INFO - step #67 R -3088861.67 -1841066.53 -1747795.15 500000.00 T= 12411.92 K 2026-04-28 20:48:31,511 INFO - step #68 R -2974214.91 -1773200.43 -1701014.47 500000.00 T= 12323.69 K 2026-04-28 20:48:34,974 INFO - step #69 R -3035758.83 -1805317.64 -1730441.19 500000.00 T= 12264.87 K 2026-04-28 20:48:35,998 INFO - step #70 R -3091886.77 -1843863.07 -1748023.69 500000.00 T= 12250.17 K 2026-04-28 20:48:41,809 INFO - step #71 T -3042464.78 -1727536.54 -1614928.25 300000.00 T= 12147.23 K 2026-04-28 20:48:42,804 INFO - step #72 T -2874191.67 -1520006.49 -1454185.18 100000.00 T= 12132.53 K 2026-04-28 20:48:44,591 INFO - step #73 R -2888992.02 -1517363.63 -1471628.39 100000.00 T= 12103.12 K 2026-04-28 20:48:46,388 INFO - step #74 T -2844768.12 -1460076.58 -1384691.54 0.00 T= 12073.71 K 2026-04-28 20:48:50,726 INFO - step #75 T -2773707.46 -1435333.22 -1338374.24 0.00 T= 12029.59 K 2026-04-28 20:48:53,303 INFO - step #76 T -2846264.06 -1548166.18 -1498097.88 200000.00 T= 11985.48 K 2026-04-28 20:48:54,292 INFO - step #77 R -2854607.33 -1552089.73 -1502517.60 200000.00 T= 11970.77 K 2026-04-28 20:48:56,100 INFO - step #78 R -2806546.30 -1636058.59 -1570487.72 400000.00 T= 11941.36 K 2026-04-28 20:48:57,112 INFO - step #79 R -2984705.98 -1646878.75 -1537827.23 200000.00 T= 11926.66 K 2026-04-28 20:48:58,104 INFO - step #80 R -3003172.21 -1697323.04 -1605849.17 300000.00 T= 11911.95 K 2026-04-28 20:49:02,292 INFO - step #81 R -3135598.07 -1619754.70 -1515843.37 0.00 T= 11838.43 K 2026-04-28 20:49:04,568 INFO - start - parameters: File name /home/rpdock/web/media/jobs/3d411e53-5cb9-4307-9924-83be5dc86afe//ref_struc/prot-na_3910/prot-na_3910.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-04-28 20:49:07,772 INFO - step #1 R -2851836.12 -1559679.22 -1492156.90 200000.00 T= 15000.00 K 2026-04-28 20:49:12,755 INFO - step #2 R -2812643.78 -1538804.92 -1473838.86 200000.00 T= 14911.77 K 2026-04-28 20:49:13,815 INFO - step #3 T -2989726.31 -1635922.57 -1553803.74 200000.00 T= 14897.07 K 2026-04-28 20:49:16,409 INFO - step #4 R -2937856.25 -1606592.44 -1531263.82 200000.00 T= 14852.95 K 2026-04-28 20:49:18,296 INFO - step #5 R -3119218.30 -1695636.73 -1623581.57 200000.00 T= 14823.54 K 2026-04-28 20:49:24,085 INFO - step #6 R -3020071.75 -1639718.49 -1580353.26 200000.00 T= 14720.61 K 2026-04-28 20:49:25,265 INFO - step #7 R -3124353.14 -1696892.92 -1627460.22 200000.00 T= 14705.90 K 2026-04-28 20:49:27,949 INFO - step #8 T -2953253.15 -1693952.70 -1659300.45 400000.00 T= 14661.79 K 2026-04-28 20:49:29,182 INFO - step #9 T -3108967.06 -1789271.15 -1719695.90 400000.00 T= 14647.08 K 2026-04-28 20:49:30,180 INFO - step #10 R -2719064.90 -1917962.17 -1801102.73 1000000.00 T= 14632.38 K 2026-04-28 20:49:33,556 INFO - step #11 R -3016849.78 -1727052.75 -1689797.03 400000.00 T= 14573.56 K 2026-04-28 20:49:39,652 INFO - step #12 T -2940390.94 -1641305.31 -1599085.63 300000.00 T= 14470.62 K 2026-04-28 20:49:43,025 INFO - step #13 T -3225145.47 -1734220.33 -1690925.14 200000.00 T= 14411.80 K 2026-04-28 20:49:48,032 INFO - step #14 R -3234547.48 -1739390.07 -1695157.40 200000.00 T= 14323.57 K 2026-04-28 20:49:57,654 INFO - step #15 R -2965794.43 -1654886.46 -1610907.97 300000.00 T= 14161.82 K 2026-04-28 20:50:01,012 INFO - step #16 T -2788279.66 -1602364.59 -1585915.08 400000.00 T= 14103.00 K 2026-04-28 20:50:02,036 INFO - step #17 T -2662859.42 -1554182.67 -1508676.75 400000.00 T= 14088.29 K 2026-04-28 20:50:03,896 INFO - step #18 T -2792389.75 -1473491.31 -1418898.44 100000.00 T= 14058.88 K 2026-04-28 20:50:07,821 INFO - step #19 T -2797249.18 -1583032.29 -1514216.89 300000.00 T= 14000.06 K 2026-04-28 20:50:08,807 INFO - step #20 T -3021813.29 -1650978.85 -1570834.44 200000.00 T= 13985.36 K 2026-04-28 20:50:09,806 INFO - step #21 T -2796755.52 -1874985.92 -1821769.60 900000.00 T= 13970.65 K 2026-04-28 20:50:10,790 INFO - step #22 T -2851320.78 -1647126.34 -1604194.44 400000.00 T= 13955.95 K 2026-04-28 20:50:11,779 INFO - step #23 R -2856598.94 -1651151.51 -1605447.42 400000.00 T= 13941.24 K 2026-04-28 20:50:14,957 INFO - step #24 R -2610918.45 -1571197.86 -1539720.59 500000.00 T= 13897.13 K 2026-04-28 20:50:16,753 INFO - step #25 T -2689319.12 -1515624.73 -1473694.39 300000.00 T= 13867.72 K 2026-04-28 20:50:18,524 INFO - step #26 R -2751916.08 -1549061.61 -1502854.47 300000.00 T= 13838.31 K 2026-04-28 20:50:20,308 INFO - step #27 R -2658514.36 -1547126.19 -1511388.18 400000.00 T= 13808.90 K 2026-04-28 20:50:21,297 INFO - step #28 T -2582461.11 -1365186.30 -1317274.80 100000.00 T= 13794.19 K 2026-04-28 20:50:23,084 INFO - step #29 R -2630760.90 -1393858.97 -1336901.93 100000.00 T= 13764.78 K 2026-04-28 20:50:24,876 INFO - step #30 R -2666298.98 -1449490.35 -1416808.64 200000.00 T= 13735.37 K 2026-04-28 20:50:26,573 INFO - step #31 R -2616325.12 -1422475.19 -1393849.93 200000.00 T= 13720.67 K 2026-04-28 20:50:27,576 INFO - step #32 R -2539374.96 -1344829.74 -1294545.22 100000.00 T= 13705.96 K 2026-04-28 20:50:29,372 INFO - step #33 R -2574802.51 -1357407.35 -1317395.15 100000.00 T= 13676.55 K 2026-04-28 20:50:31,938 INFO - step #34 R -2469780.94 -1302452.20 -1267328.74 100000.00 T= 13632.44 K 2026-04-28 20:50:32,925 INFO - step #35 R -2555464.35 -1345286.84 -1310177.51 100000.00 T= 13617.73 K 2026-04-28 20:50:35,512 INFO - step #36 T -2652412.99 -1350642.44 -1301770.55 0.00 T= 13573.62 K 2026-04-28 20:50:36,528 INFO - step #37 T -2874808.30 -1572428.87 -1502379.43 200000.00 T= 13558.91 K 2026-04-28 20:50:38,456 INFO - step #38 T -3021916.92 -1601150.18 -1520766.75 100000.00 T= 13544.21 K 2026-04-28 20:50:46,616 INFO - step #39 R -3037876.68 -1601291.21 -1536585.47 100000.00 T= 13397.16 K 2026-04-28 20:50:48,410 INFO - step #40 R -2936734.96 -1658374.19 -1578360.76 300000.00 T= 13367.75 K 2026-04-28 20:50:49,421 INFO - step #41 T -3072671.02 -1716505.70 -1656165.32 300000.00 T= 13353.04 K 2026-04-28 20:50:50,461 INFO - step #42 R -3242284.04 -1789848.17 -1752435.87 300000.00 T= 13338.34 K 2026-04-28 20:50:58,842 INFO - step #43 R -3114610.80 -1697096.40 -1617514.40 200000.00 T= 13191.29 K 2026-04-28 20:51:01,486 INFO - step #44 R -3078470.67 -1672638.95 -1605831.72 200000.00 T= 13147.17 K 2026-04-28 20:51:02,537 INFO - step #45 R -3053603.35 -1749296.58 -1704306.77 400000.00 T= 13132.47 K 2026-04-28 20:51:05,225 INFO - step #46 R -3061561.18 -1752123.10 -1709438.08 400000.00 T= 13088.35 K 2026-04-28 20:51:07,842 INFO - step #47 T -3043385.67 -1694105.16 -1649280.51 300000.00 T= 13044.24 K 2026-04-28 20:51:11,670 INFO - step #48 T -2765152.94 -1815806.61 -1749346.32 800000.00 T= 13000.12 K 2026-04-28 20:51:12,685 INFO - step #49 T -2798766.25 -1624808.83 -1573957.41 400000.00 T= 12985.42 K 2026-04-28 20:51:19,378 INFO - step #50 T -2952559.45 -1707885.75 -1644673.70 400000.00 T= 12867.78 K 2026-04-28 20:51:22,016 INFO - step #51 R -2953775.17 -1747119.34 -1706655.83 500000.00 T= 12823.66 K 2026-04-28 20:51:28,663 INFO - step #52 T -2677500.38 -1796447.78 -1781052.60 900000.00 T= 12706.02 K 2026-04-28 20:51:29,713 INFO - step #53 R -2787960.88 -1812231.08 -1775729.80 800000.00 T= 12691.32 K 2026-04-28 20:51:32,387 INFO - step #54 T -2974677.52 -1760579.22 -1714098.30 500000.00 T= 12647.20 K 2026-04-28 20:51:33,430 INFO - step #55 R -3113965.99 -1782678.27 -1731287.72 400000.00 T= 12632.50 K 2026-04-28 20:51:40,897 INFO - step #56 R -3121396.57 -1736481.22 -1684915.35 300000.00 T= 12500.15 K 2026-04-28 20:51:42,716 INFO - step #57 T -3316708.25 -1832541.13 -1784167.12 300000.00 T= 12470.74 K 2026-04-28 20:51:54,188 INFO - step #58 T -3252843.38 -1758405.09 -1694438.28 200000.00 T= 12264.87 K 2026-04-28 20:51:57,583 INFO - step #59 T -3177211.09 -1766216.41 -1710994.67 300000.00 T= 12235.46 K 2026-04-28 20:51:58,585 INFO - step #60 R -3177144.38 -1765263.19 -1711881.19 300000.00 T= 12220.76 K 2026-04-28 20:52:00,416 INFO - step #61 R -3212293.79 -1844907.66 -1767386.14 400000.00 T= 12191.35 K 2026-04-28 20:52:04,822 INFO - step #62 R -3074456.11 -1764568.80 -1709887.32 400000.00 T= 12117.82 K 2026-04-28 20:52:09,216 INFO - step #63 R -3072766.51 -1666665.83 -1606100.68 200000.00 T= 12044.30 K 2026-04-28 20:52:10,304 INFO - step #64 T -3075470.52 -1974386.42 -1901084.10 800000.00 T= 12029.59 K 2026-04-28 20:52:12,138 INFO - step #65 R -3105888.70 -1984221.32 -1921667.37 800000.00 T= 12000.18 K 2026-04-28 20:52:18,851 INFO - step #66 R -3047390.81 -1963047.71 -1884343.09 800000.00 T= 11882.54 K 2026-04-28 20:52:23,899 INFO - step #67 R -3173233.61 -2023004.94 -1950228.67 800000.00 T= 11794.31 K 2026-04-28 20:52:39,638 INFO - step #68 R -3105651.54 -2040504.97 -1965146.57 900000.00 T= 11514.92 K 2026-04-28 20:52:40,667 INFO - step #69 R -3113496.51 -1985606.88 -1927889.62 800000.00 T= 11500.21 K 2026-04-28 20:52:47,534 INFO - step #70 R -3139878.88 -2000340.12 -1939538.76 800000.00 T= 11382.57 K 2026-04-28 20:53:03,236 INFO - step #71 R -3214787.52 -2038961.77 -1975825.75 800000.00 T= 11103.18 K 2026-04-28 20:53:37,126 INFO - step #72 R -3226307.00 -2055940.17 -1970366.82 800000.00 T= 10617.91 K 2026-04-28 20:53:39,760 INFO - step #73 R -3130352.52 -2050006.74 -1980345.78 900000.00 T= 10573.80 K 2026-04-28 20:53:43,168 INFO - step #74 R -3125930.52 -2044671.24 -1981259.27 900000.00 T= 10514.98 K 2026-04-28 20:53:46,854 INFO - step #75 R -3061532.89 -1972616.17 -1888916.73 800000.00 T= 10456.16 K 2026-04-28 20:53:50,361 INFO - step #76 R -3243723.82 -2060993.27 -1982730.55 800000.00 T= 10397.34 K 2026-04-28 20:53:57,127 INFO - step #77 R -3103559.97 -2040676.75 -1962883.22 900000.00 T= 10279.70 K 2026-04-28 20:54:10,507 INFO - step #78 R -3101198.66 -1980604.13 -1920594.53 800000.00 T= 10044.42 K 2026-04-28 20:54:13,902 INFO - step #79 T -2931994.63 -1938219.05 -1893775.58 900000.00 T= 9985.60 K 2026-04-28 20:54:14,917 INFO - step #80 R -2919598.92 -1936957.49 -1882641.43 900000.00 T= 9970.89 K