start - parameters: File name /home/rpdock/web/media/jobs/d013c7ca-f2a8-4f9e-896a-80f204c15f16//ref_struc/prot-na_2507/prot-na_2507.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/d013c7ca-f2a8-4f9e-896a-80f204c15f16//ref_struc/prot-na_2507/prot-na_2507.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue U20 in the chain C is not compleet Missed atom C4' in the U 20 Missed atom C3' in the U 20 Missed atom C1' in the U 20 Missed atom C2' in the U 20 Missed atom O4' in the U 20 Missed atom N1 in the U 20 Missed atom C2 in the U 20 Missed atom N3 in the U 20 Missed atom C4 in the U 20 Missed atom C6 in the U 20 Missed atom C5 in the U 20 Warning, residue U20 in the chain D is not compleet Missed atom C4' in the U 20 Missed atom C3' in the U 20 Missed atom C1' in the U 20 Missed atom C2' in the U 20 Missed atom O4' in the U 20 Missed atom N1 in the U 20 Missed atom C2 in the U 20 Missed atom N3 in the U 20 Missed atom C4 in the U 20 Missed atom C6 in the U 20 Missed atom C5 in the U 20 0 - -1084292.36 -2442347.30 -2241945.07 3600000.00 1 T -1523329.84 -2322502.63 -2100827.21 2900000.00 T= 15000.0 K progress 0.1 2 R -2055525.14 -2391010.17 -2164514.97 2500000.00 T= 14985.295 K progress 0.2 3 T -1884261.20 -2232065.85 -2052195.36 2400000.00 T= 14897.065 K progress 0.3 4 R -1938613.78 -2189261.90 -2049351.88 2300000.00 T= 14852.95 K progress 0.4 5 R -1865285.58 -2224073.52 -2041212.07 2400000.00 T= 14808.835 K progress 0.5 6 R -1888771.99 -2227165.71 -2061606.28 2400000.00 T= 14794.13 K progress 0.6 7 T -2039001.33 -2419466.99 -2219534.35 2600000.00 T= 14779.425 K progress 0.7 8 R -2072307.24 -2395860.84 -2176446.40 2500000.00 T= 14705.9 K progress 0.8 9 T -2239109.44 -2228098.95 -2011010.49 2000000.00 T= 14691.195 K progress 0.9 10 R -2285141.34 -2247277.39 -2037863.95 2000000.00 T= 14661.785 K progress 1.0 11 R -2571517.61 -2239271.17 -2032246.44 1700000.00 T= 14529.44 K progress 1.1 12 T -2247323.08 -1932811.75 -1814511.33 1500000.00 T= 14308.865 K progress 1.2 13 R -2104260.09 -1909251.37 -1795008.71 1600000.00 T= 14279.455 K progress 1.3 14 R -2210127.96 -1921980.85 -1788147.11 1500000.00 T= 14250.045 K progress 1.4 15 R -2151387.27 -1882548.78 -1768838.49 1500000.00 T= 14220.635 K progress 1.5 16 R -2126889.54 -1948625.59 -1778263.95 1600000.00 T= 14161.815 K progress 1.6 17 R -2138450.57 -1958015.98 -1780434.59 1600000.00 T= 14132.405 K progress 1.7 18 R -2116081.80 -1942445.02 -1773636.78 1600000.00 T= 14102.995 K progress 1.8 19 R -2170118.46 -1894639.64 -1775478.83 1500000.00 T= 14044.175 K progress 1.9 20 R -2170919.98 -1901917.94 -1769002.04 1500000.00 T= 14000.06 K progress 2.0 21 T -2563422.38 -2129527.60 -1933894.78 1500000.00 T= 13926.535 K progress 2.1 22 T -2338048.36 -1980599.61 -1857448.75 1500000.00 T= 13897.125 K progress 2.2 23 T -1874813.99 -2116882.76 -1957931.23 2200000.00 T= 13823.6 K progress 2.3 24 R -2132186.12 -2087668.08 -1944518.04 1900000.00 T= 13808.895 K progress 2.4 25 R -2220656.14 -2240870.94 -1979785.20 2000000.00 T= 13794.19 K progress 2.5 26 R -2234453.77 -2237527.46 -1996926.31 2000000.00 T= 13764.78 K progress 2.6 27 R -2178098.97 -2222066.57 -1956032.40 2000000.00 T= 13735.37 K progress 2.7 28 T -2364512.59 -2162319.67 -1902192.91 1700000.00 T= 13705.96 K progress 2.8 29 R -2320713.12 -2072245.77 -1948467.35 1700000.00 T= 13661.845 K progress 2.9 30 T -2393324.72 -1851143.97 -1742180.75 1200000.00 T= 13588.32 K progress 3.0 31 T -2357710.70 -1887154.09 -1770556.61 1300000.00 T= 13529.5 K progress 3.1 32 T -2418275.30 -2071807.93 -1946467.37 1600000.00 T= 13441.27 K progress 3.2 33 T -2391231.79 -2125915.04 -1965316.75 1700000.00 T= 13426.565 K progress 3.3 34 T -2462048.60 -2167594.95 -1994453.66 1700000.00 T= 13411.86 K progress 3.4 35 R -1782542.83 -2168582.53 -2013960.30 2400000.00 T= 13323.63 K progress 3.5 36 T -1694826.65 -2001071.43 -1893755.22 2200000.00 T= 13294.22 K progress 3.6 37 T -2520471.47 -1683578.55 -1636892.92 800000.00 T= 13264.81 K progress 3.7 38 T -2629750.56 -1969811.87 -1859938.69 1200000.00 T= 13235.4 K progress 3.8 39 T -2706174.83 -1956729.13 -1849445.69 1100000.00 T= 13220.695 K progress 3.9 40 R -2639559.61 -1927527.50 -1812032.10 1100000.00 T= 13161.875 K progress 4.0 41 R -2488683.23 -1916157.58 -1772525.65 1200000.00 T= 13147.17 K progress 4.1 42 T -2621077.94 -1863477.57 -1757600.37 1000000.00 T= 13073.645 K progress 4.2 43 T -2555464.01 -2087061.01 -1968403.00 1500000.00 T= 13044.235 K progress 4.3 44 T -2919433.61 -1879184.06 -1740249.55 700000.00 T= 12985.415 K progress 4.4 45 R -2878529.23 -2050059.87 -1928469.36 1100000.00 T= 12941.3 K progress 4.5 46 R -3005011.31 -2005529.69 -1899481.62 900000.00 T= 12926.595 K progress 4.6 47 R -3000233.91 -1915637.15 -1784596.75 700000.00 T= 12882.48 K progress 4.7 48 R -3205987.81 -1952690.00 -1853297.81 600000.00 T= 12794.25 K progress 4.8 49 R -3139212.58 -1910296.15 -1828916.44 600000.00 T= 12661.905 K progress 4.9 50 R -2870002.82 -1994870.29 -1875132.52 1000000.00 T= 12632.495 K progress 5.0 51 R -2842973.53 -1849903.78 -1693069.76 700000.00 T= 12603.085 K progress 5.1 52 R -2892197.43 -2010907.73 -1881289.71 1000000.00 T= 12573.675 K progress 5.2 53 R -3231819.87 -1965289.11 -1866530.76 600000.00 T= 12558.97 K progress 5.3 54 T -3290574.48 -2134439.23 -2056135.25 900000.00 T= 12529.56 K progress 5.4 55 T -3271464.74 -2107457.57 -1964007.17 800000.00 T= 12456.035 K progress 5.5 56 R -3324276.42 -2125195.98 -1999080.44 800000.00 T= 12382.51 K progress 5.6 57 R -3332242.66 -2125246.76 -2006995.89 800000.00 T= 12220.755 K progress 5.7 58 R -3369895.85 -2147582.27 -2022313.57 800000.00 T= 12206.05 K progress 5.8 59 T -3311980.61 -2121759.83 -1990220.78 800000.00 T= 11661.965 K progress 5.9 60 T -3340113.32 -2026982.88 -1913130.43 600000.00 T= 11632.555 K progress 6.0 61 R -3318088.34 -2048983.18 -1969105.15 700000.00 T= 11588.44 K progress 6.1 62 R -3353889.15 -2014962.16 -1938927.00 600000.00 T= 11485.505 K progress 6.2 63 R -3339030.57 -2005939.84 -1933090.73 600000.00 T= 11367.865 K progress 6.3 64 T -3346755.35 -2006779.00 -1939976.34 600000.00 T= 11353.16 K progress 6.4 65 R -3274356.16 -2022997.19 -1951358.98 700000.00 T= 11338.455 K progress 6.5 66 R -3353151.27 -2006219.24 -1946932.04 600000.00 T= 11250.225 K progress 6.6 67 R -3345102.69 -2003743.56 -1941359.13 600000.00 T= 11191.405 K progress 6.7 68 R -3308825.67 -1983235.39 -1925590.28 600000.00 T= 11176.7 K progress 6.8 69 T -3281361.29 -2035485.11 -1945876.18 700000.00 T= 11117.88 K progress 6.9 70 T -3190756.98 -2131128.82 -2059628.15 1000000.00 T= 11059.06 K progress 7.0 71 R -3255334.67 -2208426.46 -2146908.21 1100000.00 T= 11000.24 K progress 7.1 72 R -3269522.97 -2182579.18 -2086943.78 1000000.00 T= 10882.6 K progress 7.2 73 R -3246575.09 -2163685.03 -2082890.07 1000000.00 T= 10559.09 K progress 7.3 74 R -3139617.97 -2092122.17 -1947495.80 900000.00 T= 10367.925 K progress 7.4 75 T -3018836.08 -2169948.80 -2048887.29 1200000.00 T= 10250.285 K progress 7.5 76 T -2886191.78 -2161990.13 -2024201.65 1300000.00 T= 10132.645 K progress 7.6 77 T -2872479.89 -1998262.45 -1874217.44 1000000.00 T= 10117.94 K progress 7.7 78 R -2762986.04 -1921239.94 -1741746.10 900000.00 T= 10044.415 K progress 7.8 79 R -3030514.38 -1925088.34 -1805426.04 700000.00 T= 9926.775 K progress 7.9 80 R -2967738.87 -1900760.86 -1766978.01 700000.00 T= 9912.07 K progress 8.0 81 T -3185135.99 -2031467.62 -1953668.37 800000.00 T= 9897.365 K progress 8.1 82 R -3386834.41 -2072013.70 -2014820.71 700000.00 T= 9794.43 K progress 8.2 83 R -3350698.10 -2073513.03 -1977185.06 700000.00 T= 9779.725 K progress 8.3 84 R -3382885.18 -2072897.15 -2009988.03 700000.00 T= 9706.2 K progress 8.4 85 R -3422990.58 -2086283.76 -2036706.82 700000.00 T= 9691.495 K progress 8.5 86 R -3436817.56 -2097661.11 -2039156.45 700000.00 T= 9412.1 K progress 8.6 87 R -3318923.76 -2055175.25 -1963748.51 700000.00 T= 9250.345 K progress 8.7 88 R -3319238.70 -2081490.32 -2037748.38 800000.00 T= 9132.705 K progress 8.8 89 R -3354418.64 -2106671.51 -2047747.13 800000.00 T= 9029.77 K progress 8.9 90 R -3358533.36 -2104314.17 -2054219.19 800000.00 T= 8970.95 K progress 9.0 91 R -3353558.53 -2106090.63 -2047467.90 800000.00 T= 8603.325 K progress 9.1 92 R -3246377.28 -2083907.09 -1962470.20 800000.00 T= 8456.275 K progress 9.2 93 T -3507483.64 -2193522.19 -2113961.45 800000.00 T= 8441.57 K progress 9.3 94 R -3492467.79 -2186654.55 -2105813.24 800000.00 T= 8294.52 K progress 9.4 95 R -3492198.77 -2185405.23 -2106793.54 800000.00 T= 7015.185 K progress 9.5 96 R -3481766.01 -2176332.81 -2105433.20 800000.00 T= 6000.54 K progress 9.6 97 T -3363201.92 -1991412.80 -1871789.12 500000.00 T= 5882.9 K progress 9.7 98 R -3546328.42 -2071872.19 -1974456.24 500000.00 T= 5279.995 K progress 9.8 99 R -3547576.92 -2073120.68 -1974456.24 500000.00 T= 4133.005 K progress 9.9 100 R -3561444.98 -2076879.51 -1984565.47 500000.00 T= 4059.48 K progress 10.0 101 R -3558608.80 -2075426.00 -1983182.80 500000.00 T= 1809.615 K progress 10.1 Save no big msg save short traj msg save best.pdb msg save plot e_step.png