start - parameters: File name /home/rpdock/web/media/jobs/22d2d6a7-5d68-4e34-b967-3f99034261e4//ref_struc/na-prot_1490/na-prot_1490.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/22d2d6a7-5d68-4e34-b967-3f99034261e4//ref_struc/na-prot_1490/na-prot_1490.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue A1 in the chain A has not P atom 0 - -1892403.07 -1927714.84 -1764688.23 1800000.00 1 R -2035450.68 -1947137.75 -1788312.93 1700000.00 T= 15000.0 K progress 0.1 2 T -1910278.10 -1991809.85 -1818468.24 1900000.00 T= 14985.295 K progress 0.2 3 T -2051275.81 -2013964.74 -1837311.06 1800000.00 T= 14970.59 K progress 0.3 4 T -2225702.56 -1853372.65 -1672329.91 1300000.00 T= 14911.77 K progress 0.4 5 T -2344916.42 -1858999.57 -1685916.85 1200000.00 T= 14808.835 K progress 0.5 6 R -2702720.22 -1828229.62 -1674490.60 800000.00 T= 14794.13 K progress 0.6 7 T -2691269.35 -1839648.66 -1651620.70 800000.00 T= 14735.31 K progress 0.7 8 R -2676172.91 -1888628.65 -1687544.26 900000.00 T= 14720.605 K progress 0.8 9 R -2708824.92 -1836634.57 -1672190.35 800000.00 T= 14691.195 K progress 0.9 10 R -2705814.30 -1894838.14 -1710976.16 900000.00 T= 14661.785 K progress 1.0 11 R -2787472.76 -2071552.36 -1915920.39 1200000.00 T= 14632.375 K progress 1.1 12 T -2334877.24 -1934926.57 -1799950.67 1400000.00 T= 14588.26 K progress 1.2 13 T -2174149.23 -1944220.74 -1829928.49 1600000.00 T= 14514.735 K progress 1.3 14 R -1927229.98 -1945533.35 -1781696.64 1800000.00 T= 14485.325 K progress 1.4 15 T -2447124.35 -2038965.56 -1908158.80 1500000.00 T= 14441.21 K progress 1.5 16 R -2544618.68 -2089777.77 -1954840.91 1500000.00 T= 14426.505 K progress 1.6 17 T -2517015.48 -2056246.16 -1860769.32 1400000.00 T= 14397.095 K progress 1.7 18 T -2559101.44 -1987168.55 -1871932.89 1300000.00 T= 14382.39 K progress 1.8 19 T -2781396.40 -2057466.27 -1823930.14 1100000.00 T= 14352.98 K progress 1.9 20 T -2714985.86 -1840273.12 -1674712.74 800000.00 T= 14220.635 K progress 2.0 21 R -2910821.89 -1900862.67 -1709959.22 700000.00 T= 14147.11 K progress 2.1 22 T -2893584.20 -1876806.93 -1716777.27 700000.00 T= 14102.995 K progress 2.2 23 T -2899540.20 -1893603.53 -1705936.66 700000.00 T= 14073.585 K progress 2.3 24 R -2897680.04 -1896609.67 -1701070.36 700000.00 T= 13911.83 K progress 2.4 25 R -2960597.79 -1918609.58 -1741988.21 700000.00 T= 13867.715 K progress 2.5 26 T -3183148.97 -2205330.41 -1977818.56 1000000.00 T= 13823.6 K progress 2.6 27 R -3184503.85 -2208091.89 -1976411.97 1000000.00 T= 13735.37 K progress 2.7 28 R -3204096.33 -2211796.92 -1992299.40 1000000.00 T= 13588.32 K progress 2.8 29 R -3184234.77 -2203486.46 -1980748.30 1000000.00 T= 13250.105 K progress 2.9 30 T -2525820.03 -2162454.18 -1963365.85 1600000.00 T= 13147.17 K progress 3.0 31 T -2447552.29 -2133434.27 -1914118.02 1600000.00 T= 13103.055 K progress 3.1 32 T -2843447.03 -2116412.67 -1927034.36 1200000.00 T= 13073.645 K progress 3.2 33 T -2849598.27 -2175779.05 -1973819.22 1300000.00 T= 13029.53 K progress 3.3 34 T -2811710.28 -2073231.21 -1838479.07 1100000.00 T= 12985.415 K progress 3.4 35 T -2841384.70 -1849847.30 -1691537.40 700000.00 T= 12970.71 K progress 3.5 36 T -2838784.10 -2086568.86 -1852215.24 1100000.00 T= 12956.005 K progress 3.6 37 R -2925879.21 -2061276.95 -1864602.25 1000000.00 T= 12867.775 K progress 3.7 38 R -2930259.78 -2062641.71 -1867618.07 1000000.00 T= 12808.955 K progress 3.8 39 R -2661523.27 -1960807.12 -1800716.15 1100000.00 T= 12750.135 K progress 3.9 40 R -2834776.88 -2077320.31 -1857456.57 1100000.00 T= 12706.02 K progress 4.0 41 T -3039257.27 -2287478.14 -2051779.13 1300000.00 T= 12691.315 K progress 4.1 42 T -3057801.60 -2236220.11 -2021581.50 1200000.00 T= 12397.215 K progress 4.2 43 R -2723566.51 -2269711.73 -2053854.77 1600000.00 T= 11985.475 K progress 4.3 44 T -2813087.53 -2231604.96 -2081482.57 1500000.00 T= 11956.065 K progress 4.4 45 T -3003319.60 -2202190.95 -2001128.65 1200000.00 T= 11779.605 K progress 4.5 46 R -2998416.60 -2203026.59 -1995390.01 1200000.00 T= 11691.375 K progress 4.6 47 R -3042941.82 -2219083.34 -2023858.48 1200000.00 T= 11514.915 K progress 4.7 48 R -3000526.89 -2209581.35 -1990945.54 1200000.00 T= 11426.685 K progress 4.8 49 R -2997339.75 -2198937.30 -1998402.44 1200000.00 T= 11382.57 K progress 4.9 50 T -3184772.23 -1975133.01 -1809639.22 600000.00 T= 11294.34 K progress 5.0 51 R -3123822.11 -2012028.35 -1811793.76 700000.00 T= 11103.175 K progress 5.1 52 R -3208633.43 -1976341.03 -1832292.39 600000.00 T= 11059.06 K progress 5.2 53 R -3202379.42 -2001839.89 -1800539.53 600000.00 T= 11029.65 K progress 5.3 54 R -3177379.29 -1971096.65 -1806282.64 600000.00 T= 10912.01 K progress 5.4 55 R -3174847.11 -1974489.38 -1800357.73 600000.00 T= 10882.6 K progress 5.5 56 R -3198781.86 -2006615.73 -1792166.13 600000.00 T= 10853.19 K progress 5.6 57 R -3146332.62 -2013942.90 -1832389.72 700000.00 T= 10353.22 K progress 5.7 58 R -3114813.39 -2014937.15 -1799876.24 700000.00 T= 10250.285 K progress 5.8 59 R -3096003.71 -2002081.04 -1793922.67 700000.00 T= 10220.875 K progress 5.9 60 R -3170229.09 -1974946.85 -1795282.24 600000.00 T= 10147.35 K progress 6.0 61 R -3168260.62 -2027243.72 -1841016.90 700000.00 T= 10073.825 K progress 6.1 62 R -3172169.76 -1992852.77 -1779316.99 600000.00 T= 10044.415 K progress 6.2 63 R -3183524.04 -1994113.19 -1789410.85 600000.00 T= 10015.005 K progress 6.3 64 R -3095948.25 -1935899.64 -1760048.61 600000.00 T= 9970.89 K progress 6.4 65 R -3051214.32 -1917381.97 -1733832.35 600000.00 T= 9823.84 K progress 6.5 66 R -3007659.13 -1937979.27 -1769679.86 700000.00 T= 9662.085 K progress 6.6 67 R -2716516.29 -1756023.76 -1660492.53 700000.00 T= 9632.675 K progress 6.7 68 R -2881078.02 -2087088.28 -1893989.74 1100000.00 T= 9529.74 K progress 6.8 69 R -3124531.36 -2016776.18 -1807755.17 700000.00 T= 9029.77 K progress 6.9 70 R -3179326.27 -1994516.71 -1784809.56 600000.00 T= 9000.36 K progress 7.0 71 R -3173932.78 -1981285.53 -1792647.25 600000.00 T= 8956.245 K progress 7.1 72 R -3177284.69 -1986900.08 -1790384.61 600000.00 T= 8662.145 K progress 7.2 73 R -3165234.20 -1978175.37 -1787058.83 600000.00 T= 8603.325 K progress 7.3 74 R -3175359.80 -1981643.32 -1793716.49 600000.00 T= 8588.62 K progress 7.4 75 R -3182887.68 -1983744.23 -1799143.45 600000.00 T= 8162.175 K progress 7.5 76 R -3179517.53 -1988178.24 -1791339.29 600000.00 T= 7750.435 K progress 7.6 77 R -3193135.97 -1991563.69 -1801572.28 600000.00 T= 7382.81 K progress 7.7 78 R -3171494.12 -1984675.19 -1786818.93 600000.00 T= 7162.235 K progress 7.8 79 T -3122182.21 -2008863.21 -1813319.00 700000.00 T= 6897.545 K progress 7.9 80 R -3186868.86 -1984172.25 -1802696.61 600000.00 T= 6794.61 K progress 8.0 81 R -3098832.66 -1998106.40 -1800726.26 700000.00 T= 6735.79 K progress 8.1 82 R -3194198.17 -1986940.17 -1807258.00 600000.00 T= 6647.56 K progress 8.2 83 R -3122985.05 -2016980.61 -1806004.43 700000.00 T= 6221.115 K progress 8.3 84 T -3150727.31 -1985190.96 -1765536.35 600000.00 T= 6103.475 K progress 8.4 85 R -3125451.16 -1968550.29 -1756900.87 600000.00 T= 6059.36 K progress 8.5 86 T -3240774.18 -2021009.27 -1819764.90 600000.00 T= 5882.9 K progress 8.6 87 R -3186436.83 -2041984.32 -1844452.51 700000.00 T= 5147.65 K progress 8.7 88 R -3184759.11 -1982243.73 -1802515.38 600000.00 T= 5088.83 K progress 8.8 89 R -3093049.61 -2023661.12 -1869388.49 800000.00 T= 4809.435 K progress 8.9 90 R -3180668.11 -1982651.10 -1798017.01 600000.00 T= 4721.205 K progress 9.0 91 R -3109950.36 -1939987.82 -1769962.54 600000.00 T= 4500.63 K progress 9.1 92 R -3144874.70 -2067875.58 -1876999.12 800000.00 T= 4309.465 K progress 9.2 93 R -3150883.37 -1962862.75 -1788020.61 600000.00 T= 4265.35 K progress 9.3 94 R -3156243.25 -1966852.92 -1789390.34 600000.00 T= 4235.94 K progress 9.4 95 T -3226186.88 -2003942.69 -1822244.19 600000.00 T= 4191.825 K progress 9.5 96 R -3221521.26 -1987992.32 -1833528.94 600000.00 T= 4059.48 K progress 9.6 97 R -3221885.04 -1989009.48 -1832875.56 600000.00 T= 2868.375 K progress 9.7 98 R -3238603.13 -2006982.83 -1831620.30 600000.00 T= 2662.505 K progress 9.8 99 R -3239167.93 -2006351.68 -1832816.25 600000.00 T= 1103.775 K progress 9.9 100 R -3235711.65 -2009200.00 -1826511.65 600000.00 T= 794.97 K progress 10.0 Save no big msg save short traj msg save best.pdb msg save plot e_step.png