start - parameters: File name /home/rpdock/web/media/jobs/4b2b6a8c-ebaa-4d5c-912c-35f2ee6f3430//ref_struc/na-prot_436/na-prot_436.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_436/na-prot_436.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 - -2232296.66 -1969027.46 -1763269.20 1500000.00 1 T -2399630.07 -2093875.65 -1905754.42 1600000.00 T= 15000.0 K progress 0.1 2 T -2181234.47 -2096381.79 -1884852.68 1800000.00 T= 14985.295 K progress 0.2 3 R -2195522.28 -2287667.11 -2007855.16 2100000.00 T= 14955.885 K progress 0.3 4 T -2185386.58 -2178479.68 -1906906.90 1900000.00 T= 14926.475 K progress 0.4 5 T -2252305.08 -2208967.10 -1943337.98 1900000.00 T= 14867.655 K progress 0.5 6 T -2233833.92 -2191938.80 -1941895.13 1900000.00 T= 14779.425 K progress 0.6 7 T -2659023.06 -2283101.40 -1975921.66 1600000.00 T= 14735.31 K progress 0.7 8 R -2784802.74 -2155032.78 -1929769.96 1300000.00 T= 14647.08 K progress 0.8 9 R -2585404.10 -2203646.01 -1981758.10 1600000.00 T= 14632.375 K progress 0.9 10 T -2193457.26 -2277268.57 -2016188.69 2100000.00 T= 14544.145 K progress 1.0 11 T -3021962.00 -2339641.03 -2082320.97 1400000.00 T= 14529.44 K progress 1.1 12 R -3122173.60 -2390645.82 -2131527.78 1400000.00 T= 14397.095 K progress 1.2 13 R -3046372.89 -2422130.99 -2124241.90 1500000.00 T= 14073.585 K progress 1.3 14 R -3047016.27 -2333611.06 -2113405.21 1400000.00 T= 14044.175 K progress 1.4 15 R -3006651.36 -2329863.96 -2076787.40 1400000.00 T= 14000.06 K progress 1.5 16 R -3051981.75 -2348923.64 -2103058.11 1400000.00 T= 13926.535 K progress 1.6 17 R -3280503.74 -2424451.48 -2156052.26 1300000.00 T= 13882.42 K progress 1.7 18 R -3216813.17 -2282738.80 -2034074.37 1100000.00 T= 13661.845 K progress 1.8 19 T -3312552.97 -2324770.00 -2087782.97 1100000.00 T= 13264.81 K progress 1.9 20 R -3271879.57 -2412325.28 -2159554.29 1300000.00 T= 13161.875 K progress 2.0 21 R -3148503.97 -2393945.10 -2154558.87 1400000.00 T= 12867.775 K progress 2.1 22 R -3125652.10 -2375067.93 -2150584.17 1400000.00 T= 12779.545 K progress 2.2 23 T -3168178.52 -2395235.26 -2172943.26 1400000.00 T= 12750.135 K progress 2.3 24 T -3228448.56 -2307877.85 -2020570.71 1100000.00 T= 12397.215 K progress 2.4 25 T -2982542.11 -2370169.02 -2112373.09 1500000.00 T= 12264.87 K progress 2.5 26 R -2930631.36 -2342014.56 -2088616.80 1500000.00 T= 12191.345 K progress 2.6 27 R -3023654.84 -2240857.28 -1982797.56 1200000.00 T= 12176.64 K progress 2.7 28 R -3249747.67 -2231443.70 -2018303.96 1000000.00 T= 12059.0 K progress 2.8 29 R -3067915.88 -2259000.49 -2008915.39 1200000.00 T= 11897.245 K progress 2.9 30 R -2942874.28 -2355685.95 -2087188.32 1500000.00 T= 11823.72 K progress 3.0 31 R -3055757.14 -2241762.97 -2013994.17 1200000.00 T= 11809.015 K progress 3.1 32 R -3105965.62 -2206870.54 -1999095.08 1100000.00 T= 11794.31 K progress 3.2 33 R -3100661.17 -2411493.47 -2089167.70 1400000.00 T= 11764.9 K progress 3.3 34 R -3060323.42 -2183763.10 -1976560.33 1100000.00 T= 11750.195 K progress 3.4 35 T -2826805.87 -2108606.18 -1918199.70 1200000.00 T= 11735.49 K progress 3.5 36 R -2980033.06 -2307934.35 -2072098.71 1400000.00 T= 11720.785 K progress 3.6 37 R -2970233.65 -2326778.00 -2043455.64 1400000.00 T= 11691.375 K progress 3.7 38 R -2982392.33 -2363274.12 -2119118.21 1500000.00 T= 11676.67 K progress 3.8 39 R -3037815.50 -2348386.59 -2089428.91 1400000.00 T= 11559.03 K progress 3.9 40 T -3048003.84 -2350026.53 -2097977.30 1400000.00 T= 11544.325 K progress 4.0 41 R -3059839.58 -2345779.09 -2114060.49 1400000.00 T= 11456.095 K progress 4.1 42 R -3057276.16 -2346359.07 -2110917.08 1400000.00 T= 11441.39 K progress 4.2 43 R -3067981.05 -2351945.57 -2116035.47 1400000.00 T= 11426.685 K progress 4.3 44 R -3083919.75 -2353113.20 -2130806.56 1400000.00 T= 11353.16 K progress 4.4 45 R -3123961.08 -2375073.50 -2148887.58 1400000.00 T= 11264.93 K progress 4.5 46 R -3132315.27 -2373436.49 -2158878.78 1400000.00 T= 11235.52 K progress 4.6 47 T -3048195.19 -2388505.46 -2159689.74 1500000.00 T= 10970.83 K progress 4.7 48 R -3060815.95 -2244462.97 -2016352.98 1200000.00 T= 10823.78 K progress 4.8 49 R -3037107.20 -2233483.67 -2003623.53 1200000.00 T= 10750.255 K progress 4.9 50 T -3092447.83 -2215466.51 -1976981.33 1100000.00 T= 10676.73 K progress 5.0 51 R -3027996.60 -2234546.13 -1993450.47 1200000.00 T= 10588.5 K progress 5.1 52 R -3112113.10 -2294768.80 -2017344.30 1200000.00 T= 10573.795 K progress 5.2 53 R -3224266.16 -2409090.27 -2115175.89 1300000.00 T= 10514.975 K progress 5.3 54 R -3147610.46 -2245452.51 -2002157.95 1100000.00 T= 10485.565 K progress 5.4 55 R -3239228.56 -2313119.67 -2026108.89 1100000.00 T= 10294.4 K progress 5.5 56 R -3617327.37 -2404654.01 -2112673.36 900000.00 T= 10264.99 K progress 5.6 57 T -3531300.01 -2343326.80 -2087973.22 900000.00 T= 7706.32 K progress 5.7 58 R -3538572.85 -2346303.46 -2092269.39 900000.00 T= 7603.385 K progress 5.8 59 R -3541702.16 -2347201.57 -2094500.60 900000.00 T= 6691.675 K progress 5.9 60 R -3540915.21 -2346414.61 -2094500.60 900000.00 T= 6353.46 K progress 6.0 61 R -3520383.87 -2339811.04 -2080572.83 900000.00 T= 6088.77 K progress 6.1 62 R -3168411.04 -2309149.31 -2059261.72 1200000.00 T= 5941.72 K progress 6.2 63 T -3254230.49 -2261540.23 -1992690.26 1000000.00 T= 5779.965 K progress 6.3 64 R -3306465.45 -2290663.77 -2015801.69 1000000.00 T= 5603.505 K progress 6.4 65 R -3295546.01 -2293162.80 -2002383.21 1000000.00 T= 5441.75 K progress 6.5 66 R -3424056.71 -2307568.05 -2016488.65 900000.00 T= 5309.405 K progress 6.6 67 R -3424395.16 -2305747.89 -2018647.27 900000.00 T= 4632.975 K progress 6.7 68 R -3424087.99 -2307079.89 -2017008.10 900000.00 T= 4397.695 K progress 6.8 69 R -3409918.28 -2292776.12 -2017142.17 900000.00 T= 3574.215 K progress 6.9 70 R -3433620.15 -2308601.73 -2025018.42 900000.00 T= 2809.555 K progress 7.0 71 T -3514779.07 -2428676.96 -2086102.11 1000000.00 T= 2721.325 K progress 7.1 72 R -3655214.52 -2437896.53 -2117317.99 900000.00 T= 2324.29 K progress 7.2 73 R -3660783.44 -2435155.56 -2125627.88 900000.00 T= 2191.945 K progress 7.3 74 R -3645817.01 -2431648.00 -2114169.01 900000.00 T= 1603.745 K progress 7.4 75 R -3661263.73 -2437712.48 -2123551.24 900000.00 T= 647.92 K progress 7.5 Save no big msg save short traj msg save best.pdb msg save plot e_step.png