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 msg 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 Step E Edist Eang Epen Warning, residue A1 in the chain B has not P atom 0 - -1920178.14 -1731681.16 -1488496.98 1300000.00 1 T -2808699.85 -1793972.74 -1514727.11 500000.00 T= 15000.0 K progress 0.1 2 R -2686330.01 -1780765.63 -1505564.38 600000.00 T= 14985.295 K progress 0.2 3 R -2809849.87 -1885418.18 -1624431.69 700000.00 T= 14955.885 K progress 0.3 4 T -2801070.18 -1882785.66 -1618284.52 700000.00 T= 14926.475 K progress 0.4 5 T -2830187.30 -1898128.04 -1632059.26 700000.00 T= 14808.835 K progress 0.5 6 R -2797025.50 -1878686.99 -1618338.51 700000.00 T= 14764.72 K progress 0.6 7 T -2787892.84 -1868697.84 -1619195.00 700000.00 T= 14750.015 K progress 0.7 8 R -2655466.11 -1895033.74 -1660432.37 900000.00 T= 14735.31 K progress 0.8 9 R -2741538.57 -1954654.60 -1686883.97 900000.00 T= 14691.195 K progress 0.9 10 R -2710568.89 -1858727.16 -1651841.73 800000.00 T= 14676.49 K progress 1.0 11 R -2732777.87 -1782453.97 -1550323.90 600000.00 T= 14602.965 K progress 1.1 12 R -2685126.18 -1804550.14 -1580576.05 700000.00 T= 14558.85 K progress 1.2 13 R -2671217.27 -1736315.24 -1534902.03 600000.00 T= 14500.03 K progress 1.3 14 R -2655407.72 -1728499.48 -1526908.24 600000.00 T= 14441.21 K progress 1.4 15 T -2505562.33 -1640261.72 -1465300.61 600000.00 T= 14426.505 K progress 1.5 16 T -2478790.27 -1693161.16 -1485629.11 700000.00 T= 14352.98 K progress 1.6 17 T -2426733.27 -1655288.65 -1471444.61 700000.00 T= 14250.045 K progress 1.7 18 R -2361970.69 -1568693.01 -1393277.68 600000.00 T= 14073.585 K progress 1.8 19 T -2138354.00 -1542513.49 -1395840.51 800000.00 T= 13985.355 K progress 1.9 20 T -2295698.92 -1528740.91 -1366958.01 600000.00 T= 13941.24 K progress 2.0 21 T -2293713.45 -1640902.82 -1452810.63 800000.00 T= 13867.715 K progress 2.1 22 R -2263279.94 -1478214.25 -1285065.69 500000.00 T= 13853.01 K progress 2.2 23 R -2244651.21 -1465996.03 -1278655.18 500000.00 T= 13808.895 K progress 2.3 24 R -2045470.29 -1508865.23 -1336605.06 800000.00 T= 13573.615 K progress 2.4 25 R -2231826.27 -1463769.35 -1268056.92 500000.00 T= 13558.91 K progress 2.5 26 R -2255795.42 -1470428.99 -1285366.43 500000.00 T= 13529.5 K progress 2.6 27 T -2010859.89 -1401652.38 -1209207.51 600000.00 T= 13514.795 K progress 2.7 28 R -2119888.70 -1400879.47 -1219009.23 500000.00 T= 13455.975 K progress 2.8 29 T -2247798.11 -1419141.79 -1228656.32 400000.00 T= 13426.565 K progress 2.9 30 R -2221000.35 -1405141.31 -1215859.04 400000.00 T= 13397.155 K progress 3.0 31 R -2400912.50 -1445744.51 -1255168.00 300000.00 T= 13367.745 K progress 3.1 32 T -2300447.51 -1389943.60 -1210503.91 300000.00 T= 13323.63 K progress 3.2 33 R -2469319.46 -1476472.58 -1292846.88 300000.00 T= 13264.81 K progress 3.3 34 R -2442522.21 -1462082.01 -1280440.19 300000.00 T= 13235.4 K progress 3.4 35 T -2106847.30 -1423327.34 -1283519.96 600000.00 T= 13161.875 K progress 3.5 36 T -2139990.64 -1420391.25 -1219599.39 500000.00 T= 13147.17 K progress 3.6 37 R -2030669.96 -1352944.13 -1177725.83 500000.00 T= 13117.76 K progress 3.7 38 T -2036296.81 -1312013.41 -1124283.41 400000.00 T= 13044.235 K progress 3.8 39 T -2172212.56 -1421637.44 -1250575.13 500000.00 T= 12970.71 K progress 3.9 40 R -1968023.18 -1317738.43 -1150284.75 500000.00 T= 12926.595 K progress 4.0 41 R -1996962.86 -1295920.32 -1101042.53 400000.00 T= 12867.775 K progress 4.1 42 R -1793398.59 -1432662.02 -1260736.57 900000.00 T= 12838.365 K progress 4.2 43 R -2283952.36 -1476266.08 -1307686.28 500000.00 T= 12823.66 K progress 4.3 44 R -2241199.99 -1566161.63 -1375038.36 700000.00 T= 12779.545 K progress 4.4 45 R -2551502.30 -1742394.03 -1509108.26 700000.00 T= 12764.84 K progress 4.5 46 T -2569471.40 -1788537.46 -1580933.95 800000.00 T= 12750.135 K progress 4.6 47 R -2569471.40 -1788537.46 -1580933.95 800000.00 T= 12720.725 K progress 4.7 48 T -2566157.77 -1685494.11 -1480663.66 600000.00 T= 12691.315 K progress 4.8 49 T -2772978.43 -1695942.56 -1477035.87 400000.00 T= 12661.905 K progress 4.9 50 R -2839707.88 -1680348.05 -1459359.84 300000.00 T= 12529.56 K progress 5.0 51 R -2798129.49 -1661134.43 -1436995.07 300000.00 T= 12397.215 K progress 5.1 52 R -2740271.07 -1673291.48 -1466979.59 400000.00 T= 12353.1 K progress 5.2 53 R -2745848.57 -1629541.54 -1416307.03 300000.00 T= 12294.28 K progress 5.3 54 R -2761235.84 -1687053.80 -1474182.04 400000.00 T= 12264.87 K progress 5.4 55 T -2718209.93 -1586427.76 -1431782.17 300000.00 T= 12161.935 K progress 5.5 56 T -2810289.19 -1718542.39 -1491746.80 400000.00 T= 11750.195 K progress 5.6 57 R -2886417.00 -1714417.50 -1471999.50 300000.00 T= 11720.785 K progress 5.7 58 T -2675894.56 -1574265.11 -1401629.45 300000.00 T= 11588.44 K progress 5.8 59 R -2434330.30 -1680400.50 -1453929.80 700000.00 T= 11514.915 K progress 5.9 60 R -2318271.43 -1648555.56 -1469715.87 800000.00 T= 11456.095 K progress 6.0 61 R -2497457.25 -1705415.91 -1492041.34 700000.00 T= 11441.39 K progress 6.1 62 T -2469858.72 -1637531.93 -1432326.79 600000.00 T= 11279.635 K progress 6.2 63 R -2506828.12 -1564952.30 -1441875.81 500000.00 T= 11235.52 K progress 6.3 64 R -2470110.84 -1609873.94 -1460236.90 600000.00 T= 11132.585 K progress 6.4 65 T -2464050.69 -1609313.20 -1454737.49 600000.00 T= 11073.765 K progress 6.5 66 R -2575717.13 -1696529.27 -1479187.86 600000.00 T= 11059.06 K progress 6.6 67 R -2703317.39 -1709909.13 -1493408.26 500000.00 T= 11000.24 K progress 6.7 68 T -2536994.55 -1680545.88 -1456448.67 600000.00 T= 9191.525 K progress 6.8 69 R -2503122.81 -1650184.87 -1452937.94 600000.00 T= 9147.41 K progress 6.9 70 T -2568936.48 -1768127.52 -1500808.96 700000.00 T= 9015.065 K progress 7.0 71 R -2489076.56 -1763941.25 -1525135.31 800000.00 T= 8956.245 K progress 7.1 72 R -2531778.10 -1621884.23 -1409893.87 500000.00 T= 8897.425 K progress 7.2 73 R -2595809.53 -1588597.10 -1407212.43 400000.00 T= 8868.015 K progress 7.3 74 R -2668290.28 -1755662.35 -1512627.93 600000.00 T= 8809.195 K progress 7.4 75 R -2819819.57 -1774013.65 -1545805.92 500000.00 T= 8779.785 K progress 7.5 76 R -2825822.25 -1720255.34 -1505566.91 400000.00 T= 8706.26 K progress 7.6 77 R -2800020.76 -1711522.19 -1488498.57 400000.00 T= 8676.85 K progress 7.7 78 R -2773290.22 -1701145.30 -1472144.92 400000.00 T= 8618.03 K progress 7.8 79 R -2802376.47 -1713037.86 -1489338.61 400000.00 T= 8220.995 K progress 7.9 80 R -2812040.52 -1719440.81 -1492599.71 400000.00 T= 8073.945 K progress 8.0 81 R -2805485.63 -1715396.13 -1490089.50 400000.00 T= 8059.24 K progress 8.1 82 R -2817173.24 -1717652.22 -1499521.01 400000.00 T= 8000.42 K progress 8.2 83 T -2693888.15 -1679823.88 -1514064.28 500000.00 T= 7868.075 K progress 8.3 84 R -2694320.86 -1683121.15 -1511199.71 500000.00 T= 7809.255 K progress 8.4 85 T -2647645.40 -1749285.90 -1498359.50 600000.00 T= 7721.025 K progress 8.5 86 T -2739447.04 -1714566.71 -1524880.33 500000.00 T= 7691.615 K progress 8.6 87 R -2695379.26 -1692656.80 -1502722.46 500000.00 T= 7588.68 K progress 8.7 88 R -2668252.74 -1685342.64 -1482910.09 500000.00 T= 7559.27 K progress 8.8 89 R -2663191.19 -1676832.70 -1486358.48 500000.00 T= 7500.45 K progress 8.9 90 R -2719896.68 -1711791.47 -1508105.21 500000.00 T= 7471.04 K progress 9.0 91 R -2676640.55 -1689795.23 -1486845.32 500000.00 T= 7441.63 K progress 9.1 92 T -2609989.37 -1577299.66 -1432689.71 400000.00 T= 7309.285 K progress 9.2 93 T -2782249.09 -1706039.24 -1476209.85 400000.00 T= 7294.58 K progress 9.3 94 T -2728142.00 -1609909.23 -1418232.77 300000.00 T= 7279.875 K progress 9.4 95 R -2696485.69 -1582720.27 -1413765.43 300000.00 T= 7176.94 K progress 9.5 96 R -2808194.27 -1640568.49 -1467625.79 300000.00 T= 6809.315 K progress 9.6 97 R -2745552.22 -1613831.84 -1431720.38 300000.00 T= 6662.265 K progress 9.7 98 R -2664360.82 -1570302.89 -1394057.93 300000.00 T= 6603.445 K progress 9.8 99 R -2734309.41 -1612839.16 -1421470.25 300000.00 T= 6368.165 K progress 9.9 100 R -2728578.42 -1610478.03 -1418100.39 300000.00 T= 6324.05 K progress 10.0 101 R -2785754.46 -1632147.93 -1453606.53 300000.00 T= 6250.525 K progress 10.1 102 T -2801733.69 -1706932.82 -1494800.87 400000.00 T= 6177.0 K progress 10.2 103 R -2771974.48 -1637530.33 -1434444.15 300000.00 T= 6044.655 K progress 10.3 104 R -2674699.22 -1570789.06 -1403910.16 300000.00 T= 6015.245 K progress 10.4 105 R -2644147.80 -1610926.93 -1433220.87 400000.00 T= 5956.425 K progress 10.5 106 R -2779377.75 -1696443.25 -1482934.51 400000.00 T= 5927.015 K progress 10.6 107 R -2793044.34 -1705181.43 -1487862.91 400000.00 T= 5868.195 K progress 10.7 108 R -2791780.02 -1703917.12 -1487862.91 400000.00 T= 5662.325 K progress 10.8 109 R -2717969.51 -1713513.75 -1504455.76 500000.00 T= 5632.915 K progress 10.9 110 R -2719746.79 -1646439.26 -1473307.53 400000.00 T= 5603.505 K progress 11.0 111 R -2715506.24 -1717542.94 -1497963.29 500000.00 T= 5441.75 K progress 11.1 112 R -2745083.87 -1613516.66 -1431567.21 300000.00 T= 5382.93 K progress 11.2 113 R -2749137.48 -1731304.18 -1517833.30 500000.00 T= 5221.175 K progress 11.3 114 R -2724910.56 -1652465.15 -1472445.42 400000.00 T= 5074.125 K progress 11.4 115 R -2774494.31 -1689448.04 -1485046.28 400000.00 T= 4985.895 K progress 11.5 116 R -2846319.68 -1740608.48 -1505711.20 400000.00 T= 4868.255 K progress 11.6 117 R -2845041.26 -1740319.14 -1504722.12 400000.00 T= 4662.385 K progress 11.7 118 R -2845041.26 -1740319.14 -1504722.12 400000.00 T= 4515.335 K progress 11.8 119 R -2748948.79 -1731238.07 -1517710.71 500000.00 T= 4412.4 K progress 11.9 120 R -2741573.82 -1730990.22 -1510583.60 500000.00 T= 4280.055 K progress 12.0 121 T -2634455.86 -1727399.51 -1507056.34 600000.00 T= 4250.645 K progress 12.1 122 R -2768299.21 -1752915.82 -1515383.40 500000.00 T= 3971.25 K progress 12.2 123 T -2742832.92 -1653851.50 -1488981.42 400000.00 T= 3559.51 K progress 12.3 124 T -2779016.60 -1763404.11 -1515612.49 500000.00 T= 3280.115 K progress 12.4 125 R -2799869.99 -1772841.95 -1527028.03 500000.00 T= 3221.295 K progress 12.5 126 R -2805383.91 -1775033.06 -1530350.85 500000.00 T= 3030.13 K progress 12.6 127 R -2810389.52 -1780554.10 -1529835.42 500000.00 T= 2368.405 K progress 12.7 128 T -2763934.34 -1754709.76 -1509224.58 500000.00 T= 2280.175 K progress 12.8 129 R -2769596.96 -1754709.76 -1514887.20 500000.00 T= 2118.42 K progress 12.9 130 R -2773957.50 -1758295.70 -1515661.80 500000.00 T= 1986.075 K progress 13.0 131 T -2778541.71 -1822572.86 -1555968.85 600000.00 T= 1515.515 K progress 13.1 132 R -2768767.43 -1846429.19 -1622338.24 700000.00 T= 1192.005 K progress 13.2 133 R -2830755.44 -1853877.57 -1576877.87 600000.00 T= 883.2 K progress 13.3 134 R -2830634.15 -1853756.28 -1576877.87 600000.00 T= 750.855 K progress 13.4 135 T -2853098.75 -1904115.73 -1648983.03 700000.00 T= 544.985 K progress 13.5 Save no big msg save short traj msg save best.pdb msg save plot e_step.png