start - parameters: File name /home/rpdock/web/media/jobs/4b2b6a8c-ebaa-4d5c-912c-35f2ee6f3430//ref_struc/na-prot_8039/na-prot_8039.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/4b2b6a8c-ebaa-4d5c-912c-35f2ee6f3430//ref_struc/na-prot_8039/na-prot_8039.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue U1 in the chain A has not P atom 0 - -977024.84 -2040588.32 -1836436.52 2900000.00 1 R -1567829.98 -2108171.45 -1959658.52 2500000.00 T= 15000.0 K progress 0.1 2 T -1908694.10 -2084127.15 -1924566.95 2100000.00 T= 14955.885 K progress 0.2 3 R -2096744.02 -1918243.30 -1778500.73 1600000.00 T= 14926.475 K progress 0.3 4 R -2209043.11 -1975941.09 -1833102.02 1600000.00 T= 14897.065 K progress 0.4 5 R -2199474.98 -1669511.74 -1529963.24 1000000.00 T= 14852.95 K progress 0.5 6 R -2264552.09 -1704075.38 -1560476.71 1000000.00 T= 14764.72 K progress 0.6 7 T -2258625.27 -1474853.54 -1383771.73 600000.00 T= 14735.31 K progress 0.7 8 T -2273980.94 -1640886.13 -1533094.81 900000.00 T= 14705.9 K progress 0.8 9 R -2231322.78 -1628475.17 -1502847.60 900000.00 T= 14647.08 K progress 0.9 10 R -2148520.81 -1570694.38 -1477826.43 900000.00 T= 14602.965 K progress 1.0 11 R -2152809.52 -1579400.21 -1473409.32 900000.00 T= 14588.26 K progress 1.1 12 R -2259291.37 -1633455.61 -1525835.76 900000.00 T= 14573.555 K progress 1.2 13 T -2069532.69 -1579345.31 -1490187.38 1000000.00 T= 14455.915 K progress 1.3 14 T -1388168.44 -1761684.52 -1626483.92 2000000.00 T= 14426.505 K progress 1.4 15 T -1784068.48 -1694981.00 -1589087.48 1500000.00 T= 14397.095 K progress 1.5 16 T -2202057.63 -1596888.66 -1505168.98 900000.00 T= 14338.275 K progress 1.6 17 T -2167974.48 -1648210.27 -1519764.21 1000000.00 T= 13911.83 K progress 1.7 18 R -2381892.43 -1711322.69 -1570569.74 900000.00 T= 13867.715 K progress 1.8 19 T -2340205.40 -1618080.93 -1522124.48 800000.00 T= 13838.305 K progress 1.9 20 T -2431608.19 -1659826.30 -1571781.89 800000.00 T= 13823.6 K progress 2.0 21 T -2416743.51 -1613161.22 -1503582.30 700000.00 T= 13764.78 K progress 2.1 22 R -2443601.08 -1624755.82 -1518845.26 700000.00 T= 13720.665 K progress 2.2 23 R -2397332.49 -1652445.69 -1544886.80 800000.00 T= 13132.465 K progress 2.3 24 R -2419487.51 -1660348.88 -1559138.64 800000.00 T= 13088.35 K progress 2.4 25 R -2324149.89 -1611709.51 -1512440.38 800000.00 T= 12794.25 K progress 2.5 26 R -1886913.61 -1557054.84 -1429858.78 1100000.00 T= 12632.495 K progress 2.6 27 R -1945860.80 -1583505.05 -1462355.76 1100000.00 T= 12558.97 K progress 2.7 28 R -2251426.73 -1535181.99 -1416244.75 700000.00 T= 12529.56 K progress 2.8 29 T -2273120.99 -1625372.94 -1447748.05 800000.00 T= 12382.51 K progress 2.9 30 R -2251920.09 -1616540.52 -1435379.57 800000.00 T= 12250.165 K progress 3.0 31 T -2336786.04 -1659588.78 -1477197.26 800000.00 T= 12176.64 K progress 3.1 32 T -2365055.75 -1670619.67 -1494436.08 800000.00 T= 11514.915 K progress 3.2 33 R -2320188.36 -1647185.46 -1473002.90 800000.00 T= 10544.385 K progress 3.3 34 R -1752074.87 -1555205.63 -1396869.23 1200000.00 T= 10397.335 K progress 3.4 35 R -1765776.63 -1561989.10 -1403787.53 1200000.00 T= 10338.515 K progress 3.5 36 T -1909354.32 -1565938.24 -1443416.08 1100000.00 T= 10279.695 K progress 3.6 37 R -1880131.42 -1544422.58 -1435708.84 1100000.00 T= 10235.58 K progress 3.7 38 R -1676702.55 -1410967.44 -1365735.11 1100000.00 T= 10206.17 K progress 3.8 39 R -1946693.07 -1596278.82 -1450414.25 1100000.00 T= 10191.465 K progress 3.9 40 T -1968430.38 -1560948.36 -1407482.02 1000000.00 T= 10132.645 K progress 4.0 41 T -2026515.50 -1628713.29 -1497802.20 1100000.00 T= 10073.825 K progress 4.1 42 T -1580367.46 -1508359.30 -1372008.15 1300000.00 T= 9926.775 K progress 4.2 43 T -1624312.67 -1601626.48 -1422686.19 1400000.00 T= 9912.07 K progress 4.3 44 T -1478692.82 -1569577.41 -1409115.40 1500000.00 T= 9779.725 K progress 4.4 45 R -1534799.95 -1528116.64 -1406683.31 1400000.00 T= 9735.61 K progress 4.5 46 T -1467271.21 -1544925.53 -1422345.68 1500000.00 T= 9720.905 K progress 4.6 47 T -1834043.23 -1533624.92 -1400418.30 1100000.00 T= 9662.085 K progress 4.7 48 T -1778525.92 -1545232.77 -1433293.15 1200000.00 T= 9573.855 K progress 4.8 49 R -1868966.22 -1665841.17 -1503125.05 1300000.00 T= 9529.74 K progress 4.9 50 T -1928620.56 -1579594.96 -1449025.60 1100000.00 T= 9500.33 K progress 5.0 51 T -1933838.87 -1647251.96 -1486586.91 1200000.00 T= 9412.1 K progress 5.1 52 T -2084887.12 -1480591.79 -1404295.32 800000.00 T= 9191.525 K progress 5.2 53 R -2086950.32 -1486697.74 -1400252.58 800000.00 T= 8647.44 K progress 5.3 54 R -2005886.54 -1503966.69 -1401919.85 900000.00 T= 8588.62 K progress 5.4 55 T -1960941.96 -1597810.93 -1463131.03 1100000.00 T= 8338.635 K progress 5.5 56 R -1917905.32 -1576185.16 -1441720.16 1100000.00 T= 8279.815 K progress 5.6 57 R -1887721.09 -1502977.40 -1384743.68 1000000.00 T= 8220.995 K progress 5.7 58 T -1973796.51 -1647419.10 -1526377.41 1200000.00 T= 8118.06 K progress 5.8 59 R -1996450.46 -1655408.95 -1541041.51 1200000.00 T= 8044.535 K progress 5.9 60 R -2047757.87 -1687526.98 -1560230.89 1200000.00 T= 7823.96 K progress 6.0 61 T -2048864.61 -1584683.89 -1464180.73 1000000.00 T= 7809.255 K progress 6.1 62 R -2080110.85 -1602964.26 -1477146.58 1000000.00 T= 7721.025 K progress 6.2 63 R -2074504.86 -1604813.38 -1469691.48 1000000.00 T= 7618.09 K progress 6.3 64 R -2073652.30 -1604633.14 -1469019.16 1000000.00 T= 7588.68 K progress 6.4 65 R -2066481.44 -1602052.15 -1464429.29 1000000.00 T= 7441.63 K progress 6.5 66 R -2080868.14 -1602118.98 -1478749.17 1000000.00 T= 7221.055 K progress 6.6 67 R -2091967.02 -1555278.03 -1436688.99 900000.00 T= 7132.825 K progress 6.7 68 R -2081140.80 -1547843.74 -1433297.06 900000.00 T= 6618.15 K progress 6.8 69 R -2035269.19 -1524528.75 -1410740.45 900000.00 T= 6485.805 K progress 6.9 70 R -2048215.40 -1584021.65 -1464193.74 1000000.00 T= 6118.18 K progress 7.0 71 R -1986028.77 -1560129.80 -1425898.97 1000000.00 T= 5956.425 K progress 7.1 72 R -1950190.74 -1538670.71 -1411520.03 1000000.00 T= 5897.605 K progress 7.2 73 R -2010556.20 -1567570.58 -1442985.62 1000000.00 T= 5868.195 K progress 7.3 74 R -2051269.59 -1682841.17 -1568428.42 1200000.00 T= 5574.095 K progress 7.4 75 R -2142306.62 -1640249.25 -1502057.38 1000000.00 T= 5559.39 K progress 7.5 76 R -2135519.09 -1634184.44 -1501334.65 1000000.00 T= 5044.715 K progress 7.6 77 R -2129495.56 -1631210.09 -1498285.47 1000000.00 T= 5030.01 K progress 7.7 78 R -2076746.61 -1602799.35 -1473947.26 1000000.00 T= 4868.255 K progress 7.8 79 R -2074077.94 -1598229.59 -1475848.34 1000000.00 T= 4824.14 K progress 7.9 80 T -2016250.35 -1509107.51 -1407142.84 900000.00 T= 4574.155 K progress 8.0 81 R -2272090.61 -1708583.09 -1563507.52 1000000.00 T= 4338.875 K progress 8.1 82 R -2174895.07 -1653793.35 -1521101.72 1000000.00 T= 3633.035 K progress 8.2 83 T -2150885.01 -1644302.67 -1506582.34 1000000.00 T= 3588.92 K progress 8.3 84 T -2301161.82 -1647810.43 -1553351.39 900000.00 T= 3544.805 K progress 8.4 85 R -2321080.90 -1621364.63 -1499716.27 800000.00 T= 3250.705 K progress 8.5 86 R -2305146.49 -1612809.45 -1492337.05 800000.00 T= 3044.835 K progress 8.6 87 R -2302871.07 -1650838.58 -1552032.50 900000.00 T= 2971.31 K progress 8.7 88 T -2486789.86 -1654605.18 -1532184.69 700000.00 T= 2941.9 K progress 8.8 89 R -2551245.12 -1690256.79 -1560988.33 700000.00 T= 2368.405 K progress 8.9 Save no big msg save short traj msg save best.pdb msg save plot e_step.png