start - parameters: File name /home/rpdock/web/media/jobs/d0c280cb-2ab6-427b-a7a4-b709e96386b0//ref_struc/prot-na_312/prot-na_312.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/d0c280cb-2ab6-427b-a7a4-b709e96386b0//ref_struc/prot-na_312/prot-na_312.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen 0 - -3465156.79 -2101451.42 -1963705.37 600000.00 1 R -3467126.33 -2164420.88 -1902705.45 600000.00 T= 14867.655 K progress 0.1 2 T -3362287.09 -2069253.21 -1893033.88 600000.00 T= 14794.13 K progress 0.2 3 T -3346754.48 -2153588.12 -1993166.35 800000.00 T= 14779.425 K progress 0.3 4 R -3268603.40 -2204968.25 -1963635.16 900000.00 T= 14750.015 K progress 0.4 5 T -3204641.99 -2039615.77 -1865026.22 700000.00 T= 14661.785 K progress 0.5 6 T -3421916.91 -2125807.17 -1896109.74 600000.00 T= 14647.08 K progress 0.6 7 R -3421544.65 -2123509.61 -1898035.03 600000.00 T= 14632.375 K progress 0.7 8 R -3521322.63 -2184632.50 -1936690.13 600000.00 T= 14602.965 K progress 0.8 9 R -3273751.84 -2076866.21 -1896885.63 700000.00 T= 14588.26 K progress 0.9 10 T -3312342.43 -2113150.82 -1899191.62 700000.00 T= 14558.85 K progress 1.0 11 T -3444454.77 -2173588.04 -1970866.73 700000.00 T= 14544.145 K progress 1.1 12 T -3419256.66 -2230434.23 -2088822.43 900000.00 T= 14529.44 K progress 1.2 13 T -3632410.40 -2198495.73 -2033914.67 600000.00 T= 14514.735 K progress 1.3 14 T -3571380.79 -2082547.06 -1888833.74 400000.00 T= 14426.505 K progress 1.4 15 R -3687292.64 -2076931.84 -1910360.80 300000.00 T= 14250.045 K progress 1.5 16 R -3675315.39 -2136225.11 -1939090.28 400000.00 T= 14058.88 K progress 1.6 17 R -3671653.55 -2135378.38 -1936275.17 400000.00 T= 14029.47 K progress 1.7 18 R -3553556.75 -2123524.91 -1930031.84 500000.00 T= 13941.24 K progress 1.8 19 T -3675601.52 -2127833.08 -1947768.44 400000.00 T= 13926.535 K progress 1.9 20 T -3663838.53 -2113805.64 -1950032.89 400000.00 T= 13838.305 K progress 2.0 21 R -3602983.55 -2079790.29 -1923193.26 400000.00 T= 13764.78 K progress 2.1 22 R -3637848.31 -2097812.67 -1940035.64 400000.00 T= 13750.075 K progress 2.2 23 T -3641816.50 -2107466.93 -1934349.57 400000.00 T= 13705.96 K progress 2.3 24 T -3609145.83 -2089932.51 -1919213.33 400000.00 T= 13691.255 K progress 2.4 25 R -3629059.96 -2103292.79 -1925767.17 400000.00 T= 13661.845 K progress 2.5 26 T -3387490.90 -2091094.22 -1896396.68 600000.00 T= 13632.435 K progress 2.6 27 R -3772161.33 -2173587.80 -1998573.53 400000.00 T= 13617.73 K progress 2.7 28 R -3891522.02 -2170601.38 -2020920.64 300000.00 T= 13573.615 K progress 2.8 29 R -3851383.80 -2157765.92 -1993617.88 300000.00 T= 13544.205 K progress 2.9 30 T -3870984.85 -2173726.52 -1997258.34 300000.00 T= 13470.68 K progress 3.0 31 T -3648741.55 -2100367.97 -1948373.57 400000.00 T= 13441.27 K progress 3.1 32 T -3245989.74 -2052782.63 -1893207.11 700000.00 T= 13382.45 K progress 3.2 33 T -3778819.61 -2264092.94 -2114726.67 600000.00 T= 13367.745 K progress 3.3 34 T -3545929.16 -2148238.50 -1997690.66 600000.00 T= 13205.99 K progress 3.4 35 R -3541639.00 -2149241.29 -1992397.70 600000.00 T= 13014.825 K progress 3.5 36 T -3804946.72 -2274085.45 -2130861.27 600000.00 T= 12956.005 K progress 3.6 37 R -3811493.02 -2283210.57 -2128282.44 600000.00 T= 12750.135 K progress 3.7 38 R -3531103.04 -2239580.97 -2091522.07 800000.00 T= 12617.79 K progress 3.8 39 R -3518503.96 -2174702.19 -2043801.76 700000.00 T= 12514.855 K progress 3.9 40 R -3689916.53 -2219081.42 -2070835.11 600000.00 T= 12485.445 K progress 4.0 41 T -3692792.58 -2224198.30 -2068594.28 600000.00 T= 12470.74 K progress 4.1 42 R -3661985.88 -2219228.92 -2042756.96 600000.00 T= 12456.035 K progress 4.2 43 T -3593014.26 -2129696.16 -1963318.10 500000.00 T= 12294.28 K progress 4.3 44 R -3428806.07 -2160577.83 -1968228.24 700000.00 T= 12279.575 K progress 4.4 45 T -3590697.60 -2182871.19 -2007826.42 600000.00 T= 12264.87 K progress 4.5 46 R -3590502.11 -2182204.00 -2008298.11 600000.00 T= 12206.05 K progress 4.6 47 R -3694887.20 -2179718.08 -2015169.12 500000.00 T= 12191.345 K progress 4.7 48 T -3323170.10 -2096775.97 -1926394.14 700000.00 T= 12029.59 K progress 4.8 49 R -3522390.55 -2113816.98 -1908573.56 500000.00 T= 12014.885 K progress 4.9 50 T -3546711.45 -2102414.35 -1944297.10 500000.00 T= 11985.475 K progress 5.0 51 T -3256359.74 -2057014.12 -1899345.62 700000.00 T= 11809.015 K progress 5.1 52 T -3427715.56 -2144178.59 -1983536.97 700000.00 T= 11764.9 K progress 5.2 53 T -3310142.96 -2025441.88 -1884701.07 600000.00 T= 11750.195 K progress 5.3 54 T -3257007.00 -2040724.44 -1916282.57 700000.00 T= 11691.375 K progress 5.4 55 T -3420844.56 -2031344.78 -1889499.78 500000.00 T= 11676.67 K progress 5.5 56 T -3599001.50 -2118112.00 -1980889.50 500000.00 T= 11603.145 K progress 5.6 57 T -3431012.51 -2122998.27 -2008014.24 700000.00 T= 11544.325 K progress 5.7 58 T -3489954.02 -2163996.37 -2025957.65 700000.00 T= 11485.505 K progress 5.8 59 T -3730019.86 -2156996.16 -1973023.71 400000.00 T= 11441.39 K progress 5.9 60 R -3615838.46 -2133292.21 -1982546.25 500000.00 T= 11323.75 K progress 6.0 61 T -3570491.94 -2160575.38 -2009916.55 600000.00 T= 11176.7 K progress 6.1 62 T -3541557.42 -2153935.64 -1987621.78 600000.00 T= 11073.765 K progress 6.2 63 R -3575916.55 -2177772.29 -1998144.27 600000.00 T= 11014.945 K progress 6.3 64 T -3845629.07 -2206219.41 -2039409.66 400000.00 T= 11000.24 K progress 6.4 65 R -3546147.61 -2164993.31 -1981154.30 600000.00 T= 10632.615 K progress 6.5 66 T -3589660.03 -2185083.54 -2004576.49 600000.00 T= 10573.795 K progress 6.6 67 R -3561920.16 -2174639.89 -1987280.27 600000.00 T= 10559.09 K progress 6.7 68 R -3549023.73 -2157477.90 -1991545.83 600000.00 T= 10500.27 K progress 6.8 69 R -3575384.51 -2168429.13 -2006955.38 600000.00 T= 10456.155 K progress 6.9 70 T -3891925.98 -2170533.09 -2021392.88 300000.00 T= 10426.745 K progress 7.0 71 T -3836402.74 -2127881.96 -2008520.77 300000.00 T= 9279.755 K progress 7.1 72 T -3882294.04 -2187034.28 -1995259.76 300000.00 T= 9162.115 K progress 7.2 73 R -4025802.29 -2197297.68 -2028504.61 200000.00 T= 8956.245 K progress 7.3 74 T -3885609.43 -2150250.36 -2035359.08 300000.00 T= 8809.195 K progress 7.4 75 R -3858150.36 -2134759.78 -2023390.58 300000.00 T= 6118.18 K progress 7.5 76 R -3825217.92 -2130091.21 -1995126.71 300000.00 T= 4956.485 K progress 7.6 77 R -3871721.05 -2145447.38 -2026273.67 300000.00 T= 3485.985 K progress 7.7 78 T -3881729.02 -2172067.78 -2009661.24 300000.00 T= 353.82 K progress 7.8 Save no big msg save short traj msg save best.pdb msg save plot e_step.png