start - parameters: File name /home/rpdock/web/media/jobs/4b2b6a8c-ebaa-4d5c-912c-35f2ee6f3430//ref_struc/na-prot_17062/na-prot_17062.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_17062/na-prot_17062.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 - -1927612.35 -1880636.76 -1646975.59 1600000.00 1 T -2182488.67 -1826984.14 -1655504.53 1300000.00 T= 14970.59 K progress 0.1 2 T -2204405.35 -1823987.70 -1580417.65 1200000.00 T= 14867.655 K progress 0.2 3 R -2163199.09 -1804611.93 -1558587.16 1200000.00 T= 14794.13 K progress 0.3 4 R -2187785.85 -1810752.06 -1577033.79 1200000.00 T= 14764.72 K progress 0.4 5 T -2180672.63 -1848315.78 -1632356.85 1300000.00 T= 14750.015 K progress 0.5 6 R -2292080.49 -1861640.05 -1630440.44 1200000.00 T= 14735.31 K progress 0.6 7 R -2288455.42 -1857973.85 -1630481.57 1200000.00 T= 14705.9 K progress 0.7 8 T -2308849.32 -1863223.49 -1645625.83 1200000.00 T= 14647.08 K progress 0.8 9 R -2320493.90 -1871161.26 -1649332.64 1200000.00 T= 14588.26 K progress 0.9 10 R -2191919.74 -1792389.82 -1599529.92 1200000.00 T= 14397.095 K progress 1.0 11 T -2150346.10 -1833694.18 -1616651.91 1300000.00 T= 14338.275 K progress 1.1 12 T -2051081.64 -1808392.49 -1642689.15 1400000.00 T= 14117.7 K progress 1.2 13 T -1980490.63 -1725313.93 -1555176.70 1300000.00 T= 14073.585 K progress 1.3 14 T -1954465.57 -1600152.73 -1454312.84 1100000.00 T= 14058.88 K progress 1.4 15 R -2401116.75 -1675662.91 -1525453.84 800000.00 T= 14014.765 K progress 1.5 16 R -2192357.97 -1685260.01 -1507097.95 1000000.00 T= 13985.355 K progress 1.6 17 R -2216147.11 -1702968.71 -1513178.41 1000000.00 T= 13970.65 K progress 1.7 18 R -2210924.77 -1695149.45 -1515775.32 1000000.00 T= 13926.535 K progress 1.8 19 R -2196476.09 -1692438.82 -1504037.28 1000000.00 T= 13529.5 K progress 1.9 20 T -2118899.08 -1606440.46 -1412458.63 900000.00 T= 13382.45 K progress 2.0 21 T -2461817.40 -1731287.56 -1530529.83 800000.00 T= 13353.04 K progress 2.1 22 R -2473967.88 -1667255.72 -1506712.16 700000.00 T= 13279.515 K progress 2.2 23 T -2583108.79 -1812643.42 -1570465.37 800000.00 T= 13220.695 K progress 2.3 24 T -2653945.89 -1792577.32 -1561368.57 700000.00 T= 13161.875 K progress 2.4 25 T -2260053.43 -1678716.61 -1481336.82 900000.00 T= 12897.185 K progress 2.5 26 T -2272872.30 -1635585.66 -1437286.64 800000.00 T= 12882.48 K progress 2.6 27 R -2276571.60 -1635919.22 -1440652.38 800000.00 T= 12794.25 K progress 2.7 28 T -2394026.33 -1641159.28 -1452867.06 700000.00 T= 12720.725 K progress 2.8 29 T -2108944.63 -1625216.72 -1483727.91 1000000.00 T= 12632.495 K progress 2.9 30 T -2134873.73 -1575668.33 -1359205.39 800000.00 T= 12558.97 K progress 3.0 31 T -2447259.44 -1798753.89 -1548505.55 900000.00 T= 12500.15 K progress 3.1 32 T -2297918.31 -1708650.98 -1489267.32 900000.00 T= 12441.33 K progress 3.2 33 T -2482078.70 -1686031.09 -1496047.61 700000.00 T= 12382.51 K progress 3.3 34 R -2480814.82 -1762193.73 -1518621.09 800000.00 T= 12264.87 K progress 3.4 35 R -2610101.97 -1782837.08 -1527264.89 700000.00 T= 12132.525 K progress 3.5 36 R -2450615.89 -1735683.66 -1514932.23 800000.00 T= 11382.57 K progress 3.6 37 T -2285599.56 -1584959.58 -1400639.98 700000.00 T= 11264.93 K progress 3.7 38 R -2315591.50 -1591576.64 -1424014.86 700000.00 T= 11206.11 K progress 3.8 39 T -2569389.35 -1644446.77 -1424942.58 500000.00 T= 11176.7 K progress 3.9 40 T -2503625.16 -1629819.88 -1473805.28 600000.00 T= 10985.535 K progress 4.0 41 T -2411723.73 -1589527.26 -1422196.47 600000.00 T= 10956.125 K progress 4.1 42 R -2506641.85 -1649599.15 -1457042.70 600000.00 T= 10897.305 K progress 4.2 43 R -2507269.90 -1646451.38 -1460818.51 600000.00 T= 10823.78 K progress 4.3 44 R -2475663.99 -1628039.84 -1447624.15 600000.00 T= 10809.075 K progress 4.4 45 R -2468750.60 -1613892.03 -1454858.58 600000.00 T= 10750.255 K progress 4.5 46 R -2435760.93 -1610720.88 -1425040.05 600000.00 T= 10662.025 K progress 4.6 47 R -2419134.31 -1598732.61 -1420401.70 600000.00 T= 10235.58 K progress 4.7 48 R -2393118.63 -1543193.63 -1349925.00 500000.00 T= 10132.645 K progress 4.8 49 R -2363824.80 -1575565.71 -1388259.09 600000.00 T= 10088.53 K progress 4.9 50 R -2542691.57 -1603882.41 -1438809.16 500000.00 T= 10044.415 K progress 5.0 51 R -2343138.91 -1614786.30 -1428352.61 700000.00 T= 9926.775 K progress 5.1 52 R -2505665.52 -1635161.77 -1470503.75 600000.00 T= 9912.07 K progress 5.2 53 R -2414624.28 -1594600.54 -1420023.74 600000.00 T= 9765.02 K progress 5.3 54 R -2327766.51 -1499765.92 -1328000.59 500000.00 T= 9706.2 K progress 5.4 55 R -2444966.18 -1607131.60 -1437834.58 600000.00 T= 9573.855 K progress 5.5 56 R -2463058.32 -1615821.25 -1447237.08 600000.00 T= 9426.805 K progress 5.6 57 T -2574555.70 -1653593.38 -1520962.32 600000.00 T= 9176.82 K progress 5.7 58 R -2508290.43 -1633161.08 -1475129.35 600000.00 T= 9059.18 K progress 5.8 59 R -2507433.06 -1639515.32 -1467917.74 600000.00 T= 8912.13 K progress 5.9 60 R -2510351.35 -1631110.77 -1479240.58 600000.00 T= 8897.425 K progress 6.0 61 R -2529905.31 -1687229.62 -1542675.69 700000.00 T= 8735.67 K progress 6.1 62 R -2554302.41 -1651545.09 -1502757.31 600000.00 T= 8044.535 K progress 6.2 63 R -2613153.90 -1671475.96 -1541677.95 600000.00 T= 7868.075 K progress 6.3 64 R -2534929.45 -1642728.11 -1492201.34 600000.00 T= 7176.94 K progress 6.4 65 R -2530606.05 -1691484.38 -1539121.67 700000.00 T= 6735.79 K progress 6.5 66 R -2618186.30 -1673655.86 -1544530.45 600000.00 T= 6647.56 K progress 6.6 67 R -2553004.57 -1650247.26 -1502757.31 600000.00 T= 6485.805 K progress 6.7 68 R -2524927.58 -1632293.70 -1492633.88 600000.00 T= 6250.525 K progress 6.8 69 R -2539596.77 -1637762.57 -1501834.20 600000.00 T= 6235.82 K progress 6.9 70 R -2529582.11 -1655136.66 -1474445.45 600000.00 T= 6103.475 K progress 7.0 71 T -2533788.64 -1654338.09 -1479450.56 600000.00 T= 5603.505 K progress 7.1 72 R -2526448.53 -1649806.38 -1476642.15 600000.00 T= 5471.16 K progress 7.2 73 R -2531284.06 -1653074.58 -1478209.48 600000.00 T= 5221.175 K progress 7.3 74 R -2524021.49 -1649967.30 -1474054.19 600000.00 T= 4309.465 K progress 7.4 75 R -2522811.17 -1648407.28 -1474403.89 600000.00 T= 4280.055 K progress 7.5 76 R -2420650.44 -1649232.05 -1471418.38 700000.00 T= 4177.12 K progress 7.6 77 R -2518072.96 -1644194.03 -1473878.93 600000.00 T= 4059.48 K progress 7.7 78 R -2524702.66 -1647032.89 -1477669.77 600000.00 T= 3838.905 K progress 7.8 79 R -2495432.04 -1625905.90 -1469526.14 600000.00 T= 3824.2 K progress 7.9 80 R -2479155.23 -1624275.79 -1454879.44 600000.00 T= 3735.97 K progress 8.0 81 R -2467869.23 -1622880.77 -1444988.46 600000.00 T= 3383.05 K progress 8.1 82 R -2495051.42 -1625525.29 -1469526.14 600000.00 T= 3206.59 K progress 8.2 83 R -2548188.70 -1661358.25 -1486830.44 600000.00 T= 2368.405 K progress 8.3 84 R -2540825.63 -1658753.22 -1482072.41 600000.00 T= 1530.22 K progress 8.4 85 R -2541853.48 -1659781.08 -1482072.41 600000.00 T= 1074.365 K progress 8.5 86 R -2545735.82 -1659585.32 -1486150.50 600000.00 T= 1000.84 K progress 8.6 87 R -2550677.92 -1658204.82 -1492473.10 600000.00 T= 809.675 K progress 8.7 Save no big msg save short traj msg save best.pdb msg save plot e_step.png