2026-07-06 20:26:14,639 INFO - start - parameters: File name /home/rpdock/web/media/jobs/61158ceb-9ffa-4be5-8bbc-346872939ba2//ref_struc/prot-na_283/prot-na_283.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-07-06 20:26:15,059 INFO - step #1 R -1786588.27 -1656952.44 -1429635.82 1300000.00 T= 14985.30 K 2026-07-06 20:26:15,172 INFO - step #2 R -2015369.64 -1552258.10 -1363111.53 900000.00 T= 14955.89 K 2026-07-06 20:26:15,240 INFO - step #3 R -1809306.72 -1400872.23 -1208434.49 800000.00 T= 14941.18 K 2026-07-06 20:26:15,499 INFO - step #4 R -1796770.74 -1393459.39 -1203311.35 800000.00 T= 14852.95 K 2026-07-06 20:26:15,601 INFO - step #5 R -1604397.57 -1363529.42 -1140868.15 900000.00 T= 14823.54 K 2026-07-06 20:26:15,675 INFO - step #6 R -1463038.21 -1268267.78 -1094770.43 900000.00 T= 14808.84 K 2026-07-06 20:26:15,740 INFO - step #7 T -1631723.90 -1257307.07 -1074416.84 700000.00 T= 14794.13 K 2026-07-06 20:26:15,875 INFO - step #8 T -1765979.58 -1231704.16 -1034275.42 500000.00 T= 14750.02 K 2026-07-06 20:26:15,939 INFO - 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step #129 R -2720766.55 -1748415.94 -1472350.62 500000.00 T= 8118.06 K 2026-07-06 20:26:40,363 INFO - step #130 R -2688573.44 -1729550.30 -1459023.14 500000.00 T= 7897.49 K 2026-07-06 20:26:40,436 INFO - step #131 R -2701783.12 -1746115.03 -1455668.08 500000.00 T= 7882.78 K 2026-07-06 20:26:40,542 INFO - step #132 R -2699903.45 -1737819.55 -1462083.90 500000.00 T= 7853.37 K 2026-07-06 20:26:40,612 INFO - step #133 T -2696580.15 -1743256.87 -1453323.28 500000.00 T= 7838.67 K 2026-07-06 20:26:41,383 INFO - step #134 R -2688732.33 -1733672.49 -1455059.84 500000.00 T= 7573.98 K 2026-07-06 20:26:41,452 INFO - step #135 R -2696128.67 -1738008.83 -1458119.84 500000.00 T= 7559.27 K 2026-07-06 20:26:41,933 INFO - step #136 R -2693450.81 -1738900.92 -1454549.88 500000.00 T= 7397.52 K 2026-07-06 20:26:42,695 INFO - step #137 R -2705202.29 -1743966.53 -1461235.76 500000.00 T= 7132.83 K 2026-07-06 20:26:43,333 INFO - step #138 R -2701942.30 -1744375.72 -1457566.58 500000.00 T= 6912.25 K 2026-07-06 20:26:43,812 INFO - step #139 T -2602070.42 -1747519.09 -1454551.33 600000.00 T= 6750.50 K 2026-07-06 20:26:44,206 INFO - step #140 R -2599229.82 -1741538.80 -1457691.02 600000.00 T= 6618.15 K 2026-07-06 20:26:45,103 INFO - step #141 R -2599897.90 -1740645.46 -1459252.43 600000.00 T= 6309.35 K 2026-07-06 20:26:45,517 INFO - step #142 R -2576741.40 -1737125.81 -1439615.59 600000.00 T= 6177.00 K 2026-07-06 20:26:45,834 INFO - step #143 R -2587744.03 -1743447.09 -1444296.94 600000.00 T= 6074.07 K 2026-07-06 20:26:46,517 INFO - step #144 R -2572033.60 -1771375.48 -1500658.12 700000.00 T= 5838.79 K 2026-07-06 20:26:46,627 INFO - step #145 R -2561439.14 -1727204.11 -1434235.03 600000.00 T= 5809.38 K 2026-07-06 20:26:47,538 INFO - step #146 R -2592208.23 -1745965.64 -1446242.59 600000.00 T= 5632.92 K 2026-07-06 20:26:49,289 INFO - step #147 R -2602247.88 -1751346.18 -1450901.70 600000.00 T= 5030.01 K 2026-07-06 20:26:49,694 INFO - step #148 R -2578028.18 -1742377.39 -1435650.79 600000.00 T= 4897.67 K 2026-07-06 20:26:49,975 INFO - step #149 R -2596937.94 -1750524.39 -1446413.56 600000.00 T= 4809.44 K 2026-07-06 20:26:50,091 INFO - step #150 R -2597411.87 -1747143.69 -1450268.18 600000.00 T= 4780.03 K 2026-07-06 20:26:55,177 INFO - step #151 R -2603079.78 -1750351.88 -1452727.90 600000.00 T= 2986.02 K 2026-07-06 20:26:55,369 INFO - step #152 R -2608240.92 -1755830.58 -1452410.35 600000.00 T= 2927.20 K 2026-07-06 20:26:56,142 INFO - step #153 R -2627229.49 -1749087.25 -1478142.24 600000.00 T= 2662.51 K 2026-07-06 20:26:56,510 INFO - step #154 R -2629417.25 -1748327.06 -1481090.19 600000.00 T= 2544.87 K 2026-07-06 20:27:03,737 INFO - save short traj 2026-07-06 20:27:03,772 INFO - save best.pdb 2026-07-06 20:27:03,799 INFO - save plot e_step.png 2026-07-06 20:27:04,264 INFO - done 2026-07-06 20:27:04,978 INFO - start - parameters: File name /home/rpdock/web/media/jobs/61158ceb-9ffa-4be5-8bbc-346872939ba2//ref_struc/prot-na_283/prot-na_283.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-07-06 20:27:05,309 INFO - step #1 T -2808699.85 -1793972.74 -1514727.11 500000.00 T= 15000.00 K 2026-07-06 20:27:05,382 INFO - step #2 R -2686330.01 -1780765.63 -1505564.38 600000.00 T= 14985.30 K 2026-07-06 20:27:05,494 INFO - step #3 R -2809849.87 -1885418.18 -1624431.69 700000.00 T= 14955.89 K 2026-07-06 20:27:05,611 INFO - step #4 T -2801070.18 -1882785.66 -1618284.52 700000.00 T= 14926.48 K 2026-07-06 20:27:05,990 INFO - step #5 T -2830187.30 -1898128.04 -1632059.26 700000.00 T= 14808.84 K 2026-07-06 20:27:06,150 INFO - step #6 R -2797025.50 -1878686.99 -1618338.51 700000.00 T= 14764.72 K 2026-07-06 20:27:06,223 INFO - step #7 T -2787892.84 -1868697.84 -1619195.00 700000.00 T= 14750.02 K 2026-07-06 20:27:06,294 INFO - step #8 R -2655466.11 -1895033.74 -1660432.37 900000.00 T= 14735.31 K 2026-07-06 20:27:06,454 INFO - step #9 R -2741538.57 -1954654.60 -1686883.97 900000.00 T= 14691.20 K 2026-07-06 20:27:06,529 INFO - step #10 R -2710568.89 -1858727.16 -1651841.73 800000.00 T= 14676.49 K 2026-07-06 20:27:06,777 INFO - step #11 R -2732777.87 -1782453.97 -1550323.90 600000.00 T= 14602.97 K 2026-07-06 20:27:06,930 INFO - step #12 R -2685126.18 -1804550.14 -1580576.05 700000.00 T= 14558.85 K 2026-07-06 20:27:07,130 INFO - step #13 R -2671217.27 -1736315.24 -1534902.03 600000.00 T= 14500.03 K 2026-07-06 20:27:07,326 INFO - step #14 R -2655407.72 -1728499.48 -1526908.24 600000.00 T= 14441.21 K 2026-07-06 20:27:07,447 INFO - step #15 T -2505562.33 -1640261.72 -1465300.61 600000.00 T= 14426.51 K 2026-07-06 20:27:07,685 INFO - step #16 T -2478790.27 -1693161.16 -1485629.11 700000.00 T= 14352.98 K 2026-07-06 20:27:08,009 INFO - step #17 T -2426733.27 -1655288.65 -1471444.61 700000.00 T= 14250.05 K 2026-07-06 20:27:08,533 INFO - step #18 R -2361970.69 -1568693.01 -1393277.68 600000.00 T= 14073.59 K 2026-07-06 20:27:08,799 INFO - step #19 T -2138354.00 -1542513.49 -1395840.51 800000.00 T= 13985.36 K 2026-07-06 20:27:08,946 INFO - step #20 T -2295698.92 -1528740.91 -1366958.01 600000.00 T= 13941.24 K 2026-07-06 20:27:09,178 INFO - step #21 T -2293713.45 -1640902.82 -1452810.63 800000.00 T= 13867.72 K 2026-07-06 20:27:09,243 INFO - step #22 R -2263279.94 -1478214.25 -1285065.69 500000.00 T= 13853.01 K 2026-07-06 20:27:09,390 INFO - step #23 R -2244651.21 -1465996.03 -1278655.18 500000.00 T= 13808.90 K 2026-07-06 20:27:10,046 INFO - step #24 R -2045470.29 -1508865.23 -1336605.06 800000.00 T= 13573.62 K 2026-07-06 20:27:10,110 INFO - step #25 R -2231826.27 -1463769.35 -1268056.92 500000.00 T= 13558.91 K 2026-07-06 20:27:10,214 INFO - step #26 R -2255795.42 -1470428.99 -1285366.43 500000.00 T= 13529.50 K 2026-07-06 20:27:10,363 INFO - step #27 T -2010859.89 -1401652.38 -1209207.51 600000.00 T= 13514.80 K 2026-07-06 20:27:10,560 INFO - step #28 R -2119888.70 -1400879.47 -1219009.23 500000.00 T= 13455.98 K 2026-07-06 20:27:10,667 INFO - step #29 T -2247798.11 -1419141.79 -1228656.32 400000.00 T= 13426.57 K 2026-07-06 20:27:10,769 INFO - step #30 R -2221000.35 -1405141.31 -1215859.04 400000.00 T= 13397.16 K 2026-07-06 20:27:10,874 INFO - step #31 R -2400912.50 -1445744.51 -1255168.00 300000.00 T= 13367.75 K 2026-07-06 20:27:11,017 INFO - step #32 T -2300447.51 -1389943.60 -1210503.91 300000.00 T= 13323.63 K 2026-07-06 20:27:11,199 INFO - step #33 R -2469319.46 -1476472.58 -1292846.88 300000.00 T= 13264.81 K 2026-07-06 20:27:11,304 INFO - step #34 R -2442522.21 -1462082.01 -1280440.19 300000.00 T= 13235.40 K 2026-07-06 20:27:11,525 INFO - step #35 T -2106847.30 -1423327.34 -1283519.96 600000.00 T= 13161.88 K 2026-07-06 20:27:11,590 INFO - step #36 T -2139990.64 -1420391.25 -1219599.39 500000.00 T= 13147.17 K 2026-07-06 20:27:11,693 INFO - step #37 R -2030669.96 -1352944.13 -1177725.83 500000.00 T= 13117.76 K 2026-07-06 20:27:11,911 INFO - step #38 T -2036296.81 -1312013.41 -1124283.41 400000.00 T= 13044.24 K 2026-07-06 20:27:12,132 INFO - step #39 T -2172212.56 -1421637.44 -1250575.13 500000.00 T= 12970.71 K 2026-07-06 20:27:12,273 INFO - step #40 R -1968023.18 -1317738.43 -1150284.75 500000.00 T= 12926.60 K 2026-07-06 20:27:12,569 INFO - step #41 R -1996962.86 -1295920.32 -1101042.53 400000.00 T= 12867.78 K 2026-07-06 20:27:12,672 INFO - step #42 R -1793398.59 -1432662.02 -1260736.57 900000.00 T= 12838.37 K 2026-07-06 20:27:12,742 INFO - step #43 R -2283952.36 -1476266.08 -1307686.28 500000.00 T= 12823.66 K 2026-07-06 20:27:12,891 INFO - step #44 R -2241199.99 -1566161.63 -1375038.36 700000.00 T= 12779.55 K 2026-07-06 20:27:12,962 INFO - step #45 R -2551502.30 -1742394.03 -1509108.26 700000.00 T= 12764.84 K 2026-07-06 20:27:13,034 INFO - step #46 T -2569471.40 -1788537.46 -1580933.95 800000.00 T= 12750.14 K 2026-07-06 20:27:13,149 INFO - step #47 R -2569471.40 -1788537.46 -1580933.95 800000.00 T= 12720.73 K 2026-07-06 20:27:13,261 INFO - step #48 T -2566157.77 -1685494.11 -1480663.66 600000.00 T= 12691.32 K 2026-07-06 20:27:13,375 INFO - step #49 T -2772978.43 -1695942.56 -1477035.87 400000.00 T= 12661.91 K 2026-07-06 20:27:13,779 INFO - step #50 R -2839707.88 -1680348.05 -1459359.84 300000.00 T= 12529.56 K 2026-07-06 20:27:14,181 INFO - step #51 R -2798129.49 -1661134.43 -1436995.07 300000.00 T= 12397.22 K 2026-07-06 20:27:14,333 INFO - step #52 R -2740271.07 -1673291.48 -1466979.59 400000.00 T= 12353.10 K 2026-07-06 20:27:14,531 INFO - step #53 R -2745848.57 -1629541.54 -1416307.03 300000.00 T= 12294.28 K 2026-07-06 20:27:14,645 INFO - step #54 R -2761235.84 -1687053.80 -1474182.04 400000.00 T= 12264.87 K 2026-07-06 20:27:15,117 INFO - step #55 T -2718209.93 -1586427.76 -1431782.17 300000.00 T= 12161.94 K 2026-07-06 20:27:16,352 INFO - step #56 T -2810289.19 -1718542.39 -1491746.80 400000.00 T= 11750.20 K 2026-07-06 20:27:16,473 INFO - step #57 R -2886417.00 -1714417.50 -1471999.50 300000.00 T= 11720.79 K 2026-07-06 20:27:16,881 INFO - step #58 T -2675894.56 -1574265.11 -1401629.45 300000.00 T= 11588.44 K 2026-07-06 20:27:17,122 INFO - step #59 R -2434330.30 -1680400.50 -1453929.80 700000.00 T= 11514.92 K 2026-07-06 20:27:17,314 INFO - step #60 R -2318271.43 -1648555.56 -1469715.87 800000.00 T= 11456.10 K 2026-07-06 20:27:17,383 INFO - step #61 R -2497457.25 -1705415.91 -1492041.34 700000.00 T= 11441.39 K 2026-07-06 20:27:17,874 INFO - step #62 T -2469858.72 -1637531.93 -1432326.79 600000.00 T= 11279.64 K 2026-07-06 20:27:18,025 INFO - step #63 R -2506828.12 -1564952.30 -1441875.81 500000.00 T= 11235.52 K 2026-07-06 20:27:18,339 INFO - step #64 R -2470110.84 -1609873.94 -1460236.90 600000.00 T= 11132.59 K 2026-07-06 20:27:18,533 INFO - step #65 T -2464050.69 -1609313.20 -1454737.49 600000.00 T= 11073.77 K 2026-07-06 20:27:18,603 INFO - step #66 R -2575717.13 -1696529.27 -1479187.86 600000.00 T= 11059.06 K 2026-07-06 20:27:18,806 INFO - step #67 R -2703317.39 -1709909.13 -1493408.26 500000.00 T= 11000.24 K 2026-07-06 20:27:24,169 INFO - step #68 T -2536994.55 -1680545.88 -1456448.67 600000.00 T= 9191.53 K 2026-07-06 20:27:24,324 INFO - step #69 R -2503122.81 -1650184.87 -1452937.94 600000.00 T= 9147.41 K 2026-07-06 20:27:24,724 INFO - step #70 T -2568936.48 -1768127.52 -1500808.96 700000.00 T= 9015.07 K 2026-07-06 20:27:24,918 INFO - step #71 R -2489076.56 -1763941.25 -1525135.31 800000.00 T= 8956.25 K 2026-07-06 20:27:25,112 INFO - step #72 R -2531778.10 -1621884.23 -1409893.87 500000.00 T= 8897.43 K 2026-07-06 20:27:25,220 INFO - step #73 R -2595809.53 -1588597.10 -1407212.43 400000.00 T= 8868.02 K 2026-07-06 20:27:25,409 INFO - step #74 R -2668290.28 -1755662.35 -1512627.93 600000.00 T= 8809.20 K 2026-07-06 20:27:25,522 INFO - step #75 R -2819819.57 -1774013.65 -1545805.92 500000.00 T= 8779.79 K 2026-07-06 20:27:25,759 INFO - step #76 R -2825822.25 -1720255.34 -1505566.91 400000.00 T= 8706.26 K 2026-07-06 20:27:25,869 INFO - step #77 R -2800020.76 -1711522.19 -1488498.57 400000.00 T= 8676.85 K 2026-07-06 20:27:26,060 INFO - step #78 R -2773290.22 -1701145.30 -1472144.92 400000.00 T= 8618.03 K 2026-07-06 20:27:27,215 INFO - step #79 R -2802376.47 -1713037.86 -1489338.61 400000.00 T= 8221.00 K 2026-07-06 20:27:27,656 INFO - step #80 R -2812040.52 -1719440.81 -1492599.71 400000.00 T= 8073.95 K 2026-07-06 20:27:27,725 INFO - step #81 R -2805485.63 -1715396.13 -1490089.50 400000.00 T= 8059.24 K 2026-07-06 20:27:27,917 INFO - step #82 R -2817173.24 -1717652.22 -1499521.01 400000.00 T= 8000.42 K 2026-07-06 20:27:28,323 INFO - step #83 T -2693888.15 -1679823.88 -1514064.28 500000.00 T= 7868.08 K 2026-07-06 20:27:28,749 INFO - step #84 R -2694320.86 -1683121.15 -1511199.71 500000.00 T= 7809.26 K 2026-07-06 20:27:29,030 INFO - step #85 T -2647645.40 -1749285.90 -1498359.50 600000.00 T= 7721.03 K 2026-07-06 20:27:29,147 INFO - step #86 T -2739447.04 -1714566.71 -1524880.33 500000.00 T= 7691.62 K 2026-07-06 20:27:29,476 INFO - step #87 R -2695379.26 -1692656.80 -1502722.46 500000.00 T= 7588.68 K 2026-07-06 20:27:29,588 INFO - step #88 R -2668252.74 -1685342.64 -1482910.09 500000.00 T= 7559.27 K 2026-07-06 20:27:29,779 INFO - step #89 R -2663191.19 -1676832.70 -1486358.48 500000.00 T= 7500.45 K 2026-07-06 20:27:29,891 INFO - step #90 R -2719896.68 -1711791.47 -1508105.21 500000.00 T= 7471.04 K 2026-07-06 20:27:30,003 INFO - step #91 R -2676640.55 -1689795.23 -1486845.32 500000.00 T= 7441.63 K 2026-07-06 20:27:30,411 INFO - step #92 T -2609989.37 -1577299.66 -1432689.71 400000.00 T= 7309.29 K 2026-07-06 20:27:30,482 INFO - step #93 T -2782249.09 -1706039.24 -1476209.85 400000.00 T= 7294.58 K 2026-07-06 20:27:30,552 INFO - step #94 T -2728142.00 -1609909.23 -1418232.77 300000.00 T= 7279.88 K 2026-07-06 20:27:30,860 INFO - step #95 R -2696485.69 -1582720.27 -1413765.43 300000.00 T= 7176.94 K 2026-07-06 20:27:31,896 INFO - step #96 R -2808194.27 -1640568.49 -1467625.79 300000.00 T= 6809.32 K 2026-07-06 20:27:32,334 INFO - step #97 R -2745552.22 -1613831.84 -1431720.38 300000.00 T= 6662.27 K 2026-07-06 20:27:32,528 INFO - step #98 R -2664360.82 -1570302.89 -1394057.93 300000.00 T= 6603.45 K 2026-07-06 20:27:33,202 INFO - step #99 R -2734309.41 -1612839.16 -1421470.25 300000.00 T= 6368.17 K 2026-07-06 20:27:33,352 INFO - step #100 R -2728578.42 -1610478.03 -1418100.39 300000.00 T= 6324.05 K 2026-07-06 20:27:33,582 INFO - step #101 R -2785754.46 -1632147.93 -1453606.53 300000.00 T= 6250.53 K 2026-07-06 20:27:33,815 INFO - step #102 T -2801733.69 -1706932.82 -1494800.87 400000.00 T= 6177.00 K 2026-07-06 20:27:34,217 INFO - step #103 R -2771974.48 -1637530.33 -1434444.15 300000.00 T= 6044.66 K 2026-07-06 20:27:34,325 INFO - step #104 R -2674699.22 -1570789.06 -1403910.16 300000.00 T= 6015.25 K 2026-07-06 20:27:34,799 INFO - step #105 R -2644147.80 -1610926.93 -1433220.87 400000.00 T= 5956.43 K 2026-07-06 20:27:34,910 INFO - step #106 R -2779377.75 -1696443.25 -1482934.51 400000.00 T= 5927.02 K 2026-07-06 20:27:35,105 INFO - step #107 R -2793044.34 -1705181.43 -1487862.91 400000.00 T= 5868.20 K 2026-07-06 20:27:35,717 INFO - step #108 R -2791780.02 -1703917.12 -1487862.91 400000.00 T= 5662.33 K 2026-07-06 20:27:35,832 INFO - step #109 R -2717969.51 -1713513.75 -1504455.76 500000.00 T= 5632.92 K 2026-07-06 20:27:35,941 INFO - step #110 R -2719746.79 -1646439.26 -1473307.53 400000.00 T= 5603.51 K 2026-07-06 20:27:36,414 INFO - step #111 R -2715506.24 -1717542.94 -1497963.29 500000.00 T= 5441.75 K 2026-07-06 20:27:36,606 INFO - step #112 R -2745083.87 -1613516.66 -1431567.21 300000.00 T= 5382.93 K 2026-07-06 20:27:37,090 INFO - step #113 R -2749137.48 -1731304.18 -1517833.30 500000.00 T= 5221.18 K 2026-07-06 20:27:37,548 INFO - step #114 R -2724910.56 -1652465.15 -1472445.42 400000.00 T= 5074.13 K 2026-07-06 20:27:37,823 INFO - step #115 R -2774494.31 -1689448.04 -1485046.28 400000.00 T= 4985.90 K 2026-07-06 20:27:38,177 INFO - step #116 R -2846319.68 -1740608.48 -1505711.20 400000.00 T= 4868.26 K 2026-07-06 20:27:38,783 INFO - step #117 R -2845041.26 -1740319.14 -1504722.12 400000.00 T= 4662.39 K 2026-07-06 20:27:39,232 INFO - step #118 R -2845041.26 -1740319.14 -1504722.12 400000.00 T= 4515.34 K 2026-07-06 20:27:39,554 INFO - step #119 R -2748948.79 -1731238.07 -1517710.71 500000.00 T= 4412.40 K 2026-07-06 20:27:39,957 INFO - step #120 R -2741573.82 -1730990.22 -1510583.60 500000.00 T= 4280.06 K 2026-07-06 20:27:40,067 INFO - step #121 T -2634455.86 -1727399.51 -1507056.34 600000.00 T= 4250.65 K 2026-07-06 20:27:40,885 INFO - step #122 R -2768299.21 -1752915.82 -1515383.40 500000.00 T= 3971.25 K 2026-07-06 20:27:42,074 INFO - step #123 T -2742832.92 -1653851.50 -1488981.42 400000.00 T= 3559.51 K 2026-07-06 20:27:42,900 INFO - step #124 T -2779016.60 -1763404.11 -1515612.49 500000.00 T= 3280.12 K 2026-07-06 20:27:43,101 INFO - step #125 R -2799869.99 -1772841.95 -1527028.03 500000.00 T= 3221.30 K 2026-07-06 20:27:43,695 INFO - step #126 R -2805383.91 -1775033.06 -1530350.85 500000.00 T= 3030.13 K 2026-07-06 20:27:45,966 INFO - step #127 R -2810389.52 -1780554.10 -1529835.42 500000.00 T= 2368.41 K 2026-07-06 20:27:46,248 INFO - step #128 T -2763934.34 -1754709.76 -1509224.58 500000.00 T= 2280.18 K 2026-07-06 20:27:46,744 INFO - step #129 R -2769596.96 -1754709.76 -1514887.20 500000.00 T= 2118.42 K 2026-07-06 20:27:47,155 INFO - step #130 R -2773957.50 -1758295.70 -1515661.80 500000.00 T= 1986.08 K 2026-07-06 20:27:48,565 INFO - step #131 T -2778541.71 -1822572.86 -1555968.85 600000.00 T= 1515.52 K 2026-07-06 20:27:49,548 INFO - step #132 R -2768767.43 -1846429.19 -1622338.24 700000.00 T= 1192.01 K 2026-07-06 20:27:50,473 INFO - step #133 R -2830755.44 -1853877.57 -1576877.87 600000.00 T= 883.20 K 2026-07-06 20:27:50,887 INFO - step #134 R -2830634.15 -1853756.28 -1576877.87 600000.00 T= 750.86 K 2026-07-06 20:27:51,514 INFO - step #135 T -2853098.75 -1904115.73 -1648983.03 700000.00 T= 544.99 K 2026-07-06 20:27:52,941 INFO - save short traj 2026-07-06 20:27:52,974 INFO - save best.pdb 2026-07-06 20:27:52,999 INFO - save plot e_step.png 2026-07-06 20:27:53,442 INFO - done