start - parameters: File name /home/rpdock/web/media/jobs/12967bbf-65b9-49e9-b7a4-7793b1f8a860//ref_struc/na-prot_9989/na-prot_9989.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/12967bbf-65b9-49e9-b7a4-7793b1f8a860//ref_struc/na-prot_9989/na-prot_9989.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue G1 in the chain A has not P atom 0 - -1966371.31 -1753099.13 -1713272.18 1500000.00 1 T -2145463.20 -1822066.42 -1723396.78 1400000.00 T= 14941.18 K progress 0.1 2 T -2005324.39 -1752795.70 -1652528.69 1400000.00 T= 14823.54 K progress 0.2 3 R -2037631.00 -1766704.66 -1670926.34 1400000.00 T= 14705.9 K progress 0.3 4 R -1868398.26 -2052535.65 -1915862.61 2100000.00 T= 14691.195 K progress 0.4 5 T -2157574.13 -1720706.33 -1636867.79 1200000.00 T= 14676.49 K progress 0.5 6 R -2315286.64 -1760985.14 -1654301.50 1100000.00 T= 14617.67 K progress 0.6 7 T -2265721.68 -1945859.12 -1819862.57 1500000.00 T= 14558.85 K progress 0.7 8 T -2269146.97 -1666047.07 -1603099.91 1000000.00 T= 14544.145 K progress 0.8 9 R -2268810.90 -1364782.26 -1304028.64 400000.00 T= 14514.735 K progress 0.9 10 R -2373442.13 -1475204.01 -1498238.12 600000.00 T= 14500.03 K progress 1.0 11 T -2609016.02 -1659310.30 -1649705.71 700000.00 T= 14367.685 K progress 1.1 12 R -2556680.60 -1630963.57 -1625717.04 700000.00 T= 14308.865 K progress 1.2 13 R -2347162.94 -1640065.32 -1607097.62 900000.00 T= 14294.16 K progress 1.3 14 T -2460338.15 -1433548.29 -1426789.86 400000.00 T= 14279.455 K progress 1.4 15 T -2433725.01 -1475097.35 -1458627.65 500000.00 T= 14264.75 K progress 1.5 16 R -2305902.26 -1209656.67 -1196245.59 100000.00 T= 14220.635 K progress 1.6 17 R -2355410.46 -1237934.15 -1217476.31 100000.00 T= 14191.225 K progress 1.7 18 R -2433912.05 -1277000.44 -1256911.61 100000.00 T= 14176.52 K progress 1.8 19 T -2579256.62 -1499881.85 -1479374.77 400000.00 T= 14161.815 K progress 1.9 20 T -2584049.00 -1441096.39 -1442952.61 300000.00 T= 14147.11 K progress 2.0 21 T -2643390.07 -1469863.91 -1473526.16 300000.00 T= 14117.7 K progress 2.1 22 T -2943332.02 -1512152.75 -1531179.26 100000.00 T= 14102.995 K progress 2.2 23 R -2572198.54 -1467846.05 -1504352.49 400000.00 T= 14058.88 K progress 2.3 24 T -2703054.42 -1588726.63 -1614327.78 500000.00 T= 14044.175 K progress 2.4 25 R -2717327.18 -1591575.07 -1625752.11 500000.00 T= 14029.47 K progress 2.5 26 T -2631219.01 -1596421.34 -1634797.67 600000.00 T= 13985.355 K progress 2.6 27 R -2619719.67 -1592626.53 -1627093.14 600000.00 T= 13926.535 K progress 2.7 28 R -2614298.91 -1588358.83 -1625940.08 600000.00 T= 13911.83 K progress 2.8 29 T -2638471.14 -1634067.12 -1604404.01 600000.00 T= 13853.01 K progress 2.9 30 T -2630247.17 -1511373.39 -1518873.77 400000.00 T= 13808.895 K progress 3.0 31 T -2602481.13 -1393265.48 -1409215.65 200000.00 T= 13779.485 K progress 3.1 32 T -2713978.65 -1549471.59 -1564507.06 400000.00 T= 13720.665 K progress 3.2 33 R -2682950.89 -1532477.97 -1550472.91 400000.00 T= 13705.96 K progress 3.3 34 T -2821796.07 -1509010.87 -1512785.19 200000.00 T= 13691.255 K progress 3.4 35 T -2862338.94 -1525316.58 -1537022.36 200000.00 T= 13661.845 K progress 3.5 36 R -2800701.84 -1548650.82 -1552051.01 300000.00 T= 13500.09 K progress 3.6 37 T -2947579.28 -1622621.04 -1624958.24 300000.00 T= 13441.27 K progress 3.7 38 R -2945312.59 -1671743.25 -1673569.35 400000.00 T= 13338.335 K progress 3.8 39 T -2858138.94 -1570997.87 -1587141.07 300000.00 T= 13323.63 K progress 3.9 40 T -2480106.97 -1439924.76 -1440182.22 400000.00 T= 13147.17 K progress 4.0 41 T -2563918.88 -1478952.32 -1484966.56 400000.00 T= 13132.465 K progress 4.1 42 R -2565822.58 -1480228.43 -1485594.15 400000.00 T= 13103.055 K progress 4.2 43 R -2693534.92 -1541799.97 -1551734.95 400000.00 T= 13088.35 K progress 4.3 44 T -2656174.48 -1633533.04 -1622641.44 600000.00 T= 12882.48 K progress 4.4 45 T -2808155.29 -1702682.06 -1705473.23 600000.00 T= 12867.775 K progress 4.5 46 T -2882548.48 -1857434.55 -1825113.93 800000.00 T= 12823.66 K progress 4.6 47 R -2908742.15 -1873893.65 -1834848.50 800000.00 T= 12720.725 K progress 4.7 48 T -2907512.69 -1658803.66 -1648709.03 400000.00 T= 12617.79 K progress 4.8 49 T -2283966.96 -1627492.27 -1656474.69 1000000.00 T= 12529.56 K progress 4.9 50 R -2260085.65 -1770805.21 -1789280.44 1300000.00 T= 12514.855 K progress 5.0 51 R -2260085.65 -1770805.21 -1789280.44 1300000.00 T= 12485.445 K progress 5.1 52 T -2054887.40 -1940693.93 -1914193.47 1800000.00 T= 12411.92 K progress 5.2 53 R -2332616.42 -1830326.63 -1802289.79 1300000.00 T= 12323.69 K progress 5.3 54 R -2501538.70 -2138425.56 -2063113.14 1700000.00 T= 12308.985 K progress 5.4 55 R -2418683.53 -1820505.30 -1798178.23 1200000.00 T= 12250.165 K progress 5.5 56 R -2820432.54 -1774591.41 -1745841.14 700000.00 T= 12161.935 K progress 5.6 57 T -2900576.66 -1736847.31 -1663729.34 500000.00 T= 12117.82 K progress 5.7 58 T -2947509.36 -1836662.72 -1810846.64 700000.00 T= 11985.475 K progress 5.8 59 R -2946756.12 -1837077.15 -1809678.96 700000.00 T= 11926.655 K progress 5.9 60 R -2925855.78 -1894752.25 -1831103.53 800000.00 T= 11911.95 K progress 6.0 61 T -2669395.91 -1695871.17 -1673524.74 700000.00 T= 11676.67 K progress 6.1 62 R -2721172.50 -1680016.68 -1641155.81 600000.00 T= 11632.555 K progress 6.2 63 R -2724756.74 -1682665.85 -1642090.89 600000.00 T= 11603.145 K progress 6.3 64 T -2963850.94 -1963506.17 -1900344.77 900000.00 T= 11559.03 K progress 6.4 65 R -2996874.91 -2297397.55 -2199477.36 1500000.00 T= 11206.11 K progress 6.5 66 R -2759729.85 -2129272.29 -2030457.56 1400000.00 T= 9882.66 K progress 6.6 67 R -3051023.11 -2117961.36 -2033061.75 1100000.00 T= 9823.84 K progress 6.7 68 R -3015466.93 -2100768.43 -2014698.50 1100000.00 T= 9397.395 K progress 6.8 69 R -3065244.21 -2125841.59 -2039402.62 1100000.00 T= 8059.24 K progress 6.9 70 T -2991081.48 -1930786.10 -1860295.37 800000.00 T= 7985.715 K progress 7.0 71 R -2985420.76 -1927118.41 -1858302.34 800000.00 T= 7029.89 K progress 7.1 72 R -3015215.26 -2034765.33 -1980449.94 1000000.00 T= 6765.2 K progress 7.2 73 R -3005572.38 -2027860.99 -1977711.39 1000000.00 T= 6750.495 K progress 7.3 74 R -3039258.38 -2086338.07 -2052920.31 1100000.00 T= 6147.59 K progress 7.4 75 T -3161847.12 -2157327.93 -2104519.19 1100000.00 T= 5456.455 K progress 7.5 76 R -3188170.82 -2172222.13 -2115948.70 1100000.00 T= 5015.305 K progress 7.6 77 R -3188170.82 -2172222.13 -2115948.70 1100000.00 T= 5000.6 K progress 7.7 78 R -3170616.99 -2162154.28 -2108462.72 1100000.00 T= 3956.545 K progress 7.8 79 R -3182913.65 -2169017.62 -2113896.03 1100000.00 T= 2118.42 K progress 7.9 Save no big msg save short traj msg save best.pdb msg save plot e_step.png