start - parameters: File name /home/rpdock/web/media/jobs/f6f9702c-8193-4f6d-850f-79335bec5b3e//ref_struc/prot-na_814/prot-na_814.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/f6f9702c-8193-4f6d-850f-79335bec5b3e//ref_struc/prot-na_814/prot-na_814.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue G1 in the chain B has not P atom 0 - -2394508.42 -2456339.38 -2238169.04 2300000.00 1 R -2290917.53 -2359406.41 -2131511.12 2200000.00 T= 14955.885 K progress 0.1 2 R -2116038.63 -2384945.53 -2131093.10 2400000.00 T= 14852.95 K progress 0.2 3 R -2260017.98 -2414088.84 -2145929.14 2300000.00 T= 14838.245 K progress 0.3 4 R -2505912.80 -2417771.54 -2188141.26 2100000.00 T= 14808.835 K progress 0.4 5 T -2737456.31 -2433514.15 -2203942.16 1900000.00 T= 14764.72 K progress 0.5 6 T -2869597.38 -2320680.97 -2148916.41 1600000.00 T= 14750.015 K progress 0.6 7 R -2792338.52 -2282841.20 -2109497.32 1600000.00 T= 14691.195 K progress 0.7 8 R -2978947.35 -2348701.42 -2130245.93 1500000.00 T= 14676.49 K progress 0.8 9 R -2803095.63 -2312883.33 -2090212.29 1600000.00 T= 14514.735 K progress 0.9 10 R -2978187.76 -2352568.49 -2125619.27 1500000.00 T= 14485.325 K progress 1.0 11 R -2969773.38 -2342619.81 -2127153.58 1500000.00 T= 14250.045 K progress 1.1 12 R -2970325.10 -2345085.82 -2125239.27 1500000.00 T= 14235.34 K progress 1.2 13 R -2979578.17 -2349245.42 -2130332.75 1500000.00 T= 14088.29 K progress 1.3 14 R -2979015.94 -2354187.22 -2124828.72 1500000.00 T= 13926.535 K progress 1.4 15 R -2945644.58 -2330070.96 -2115573.61 1500000.00 T= 13647.14 K progress 1.5 16 R -2911718.38 -2354815.86 -2156902.51 1600000.00 T= 13617.73 K progress 1.6 17 R -2884463.92 -2339729.02 -2144734.89 1600000.00 T= 13603.025 K progress 1.7 18 R -2553655.21 -2323937.08 -2129718.12 1900000.00 T= 13544.205 K progress 1.8 19 R -2993881.19 -2360025.91 -2133855.27 1500000.00 T= 13411.86 K progress 1.9 20 R -2943337.50 -2311264.06 -2132073.44 1500000.00 T= 13338.335 K progress 2.0 21 R -2964902.18 -2321721.57 -2143180.61 1500000.00 T= 13279.515 K progress 2.1 22 R -2989932.17 -2335366.85 -2154565.32 1500000.00 T= 13191.285 K progress 2.2 23 R -2958847.61 -2330206.36 -2128641.26 1500000.00 T= 13117.76 K progress 2.3 24 R -2948644.44 -2343218.49 -2105425.95 1500000.00 T= 12882.48 K progress 2.4 25 R -2901203.35 -2319297.44 -2081905.91 1500000.00 T= 12867.775 K progress 2.5 26 R -2748119.08 -2296583.06 -2051536.01 1600000.00 T= 12808.955 K progress 2.6 27 R -2814107.71 -2309925.14 -2104182.57 1600000.00 T= 12779.545 K progress 2.7 28 R -2731206.53 -2292762.80 -2038443.72 1600000.00 T= 12750.135 K progress 2.8 29 T -2606914.55 -2230143.51 -2076771.04 1700000.00 T= 12720.725 K progress 2.9 30 T -2641336.40 -2338781.05 -2102555.36 1800000.00 T= 12706.02 K progress 3.0 31 T -2637273.73 -2272683.83 -2064589.91 1700000.00 T= 12632.495 K progress 3.1 32 T -2924426.84 -2329584.28 -2094842.55 1500000.00 T= 12176.64 K progress 3.2 33 R -2951680.45 -2346475.10 -2105205.35 1500000.00 T= 11088.47 K progress 3.3 34 R -2940924.31 -2330965.60 -2109958.71 1500000.00 T= 11044.355 K progress 3.4 35 R -2942092.05 -2326787.99 -2115304.06 1500000.00 T= 10764.96 K progress 3.5 36 R -2945757.84 -2330453.78 -2115304.06 1500000.00 T= 10559.09 K progress 3.6 37 T -2943975.07 -2339522.84 -2104452.24 1500000.00 T= 10514.975 K progress 3.7 38 R -2766330.43 -2291936.77 -2074393.66 1600000.00 T= 9809.135 K progress 3.8 39 R -2988429.27 -2370122.57 -2118306.70 1500000.00 T= 9691.495 K progress 3.9 40 R -2984037.50 -2370086.84 -2113950.67 1500000.00 T= 9662.085 K progress 4.0 41 T -2933847.62 -2293202.84 -2140644.78 1500000.00 T= 9588.56 K progress 4.1 42 R -2934680.05 -2293202.84 -2141477.21 1500000.00 T= 9544.445 K progress 4.2 43 T -2983370.08 -2370876.47 -2212493.61 1600000.00 T= 8985.655 K progress 4.3 44 R -3007987.30 -2388917.23 -2219070.07 1600000.00 T= 8956.245 K progress 4.4 45 R -2996115.31 -2382726.43 -2213388.88 1600000.00 T= 8779.785 K progress 4.5 46 R -3014741.29 -2389637.66 -2225103.63 1600000.00 T= 8691.555 K progress 4.6 47 R -2990227.68 -2370651.45 -2219576.23 1600000.00 T= 8559.21 K progress 4.7 48 R -3192897.37 -2433544.11 -2259353.26 1500000.00 T= 8206.29 K progress 4.8 49 R -3192725.45 -2433372.19 -2259353.26 1500000.00 T= 7132.825 K progress 4.9 50 R -3192725.45 -2433372.19 -2259353.26 1500000.00 T= 6485.805 K progress 5.0 51 R -3169447.55 -2420998.47 -2248449.07 1500000.00 T= 5103.535 K progress 5.1 52 R -3161064.29 -2419294.48 -2241769.81 1500000.00 T= 4530.04 K progress 5.2 53 R -3159742.58 -2419294.48 -2240448.10 1500000.00 T= 4133.005 K progress 5.3 54 R -3175297.55 -2426963.99 -2248333.57 1500000.00 T= 3383.05 K progress 5.4 55 R -3190344.03 -2432856.52 -2257487.52 1500000.00 T= 2221.355 K progress 5.5 56 R -3190698.92 -2432276.58 -2258422.34 1500000.00 T= 1147.89 K progress 5.6 57 R -3175073.04 -2425501.61 -2249571.43 1500000.00 T= 589.1 K progress 5.7 Save no big msg save short traj msg save best.pdb msg save plot e_step.png