start - parameters: File name /home/rpdock/web/media/jobs/64c6590c-39ff-461a-b324-72d5dc660b6f//ref_struc/na-prot_4975/na-prot_4975.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/64c6590c-39ff-461a-b324-72d5dc660b6f//ref_struc/na-prot_4975/na-prot_4975.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue G1 in the chain A has not P atom 0 - -2002725.76 -2471162.44 -2331563.32 2800000.00 1 R -2079330.24 -2507708.20 -2371622.04 2800000.00 T= 15000.0 K progress 0.1 2 R -2672485.37 -2239247.70 -2133237.67 1700000.00 T= 14970.59 K progress 0.2 3 R -2672072.92 -2239878.74 -2132194.18 1700000.00 T= 14926.475 K progress 0.3 4 R -2671315.78 -2227251.35 -2044064.43 1600000.00 T= 14882.36 K progress 0.4 5 T -2245235.45 -2129891.35 -2015344.10 1900000.00 T= 14852.95 K progress 0.5 6 R -2211067.34 -2265438.03 -2045629.31 2100000.00 T= 14794.13 K progress 0.6 7 R -2345202.84 -2202419.23 -2042783.62 1900000.00 T= 14779.425 K progress 0.7 8 T -2571640.90 -2155834.43 -2015806.47 1600000.00 T= 14750.015 K progress 0.8 9 R -2602851.59 -2171700.79 -2031150.80 1600000.00 T= 14720.605 K progress 0.9 10 T -2616073.77 -2140514.67 -1975559.10 1500000.00 T= 14676.49 K progress 1.0 11 T -2478002.28 -2110739.59 -1967262.70 1600000.00 T= 14647.08 K progress 1.1 12 T -2437075.96 -2132132.87 -1904943.09 1600000.00 T= 14617.67 K progress 1.2 13 R -2447038.83 -2130428.97 -1916609.87 1600000.00 T= 14602.965 K progress 1.3 14 T -2596254.72 -2224251.89 -2072002.83 1700000.00 T= 14558.85 K progress 1.4 15 R -2540433.55 -2399900.63 -2240532.91 2100000.00 T= 14544.145 K progress 1.5 16 T -2513185.44 -2392487.43 -2220698.01 2100000.00 T= 14529.44 K progress 1.6 17 T -2484745.81 -2246886.44 -2137859.37 1900000.00 T= 14514.735 K progress 1.7 18 R -2318302.16 -2210015.59 -2108286.57 2000000.00 T= 14500.03 K progress 1.8 19 T -2288244.61 -2266092.84 -2122151.77 2100000.00 T= 14485.325 K progress 1.9 20 T -2408740.81 -2482176.72 -2326564.08 2400000.00 T= 14470.62 K progress 2.0 21 R -2448242.50 -2501043.79 -2347198.71 2400000.00 T= 14455.915 K progress 2.1 22 R -2386070.87 -2489062.74 -2297008.13 2400000.00 T= 14441.21 K progress 2.2 23 T -2531117.80 -2510189.70 -2320928.10 2300000.00 T= 14426.505 K progress 2.3 24 T -2657430.32 -2254009.24 -2103421.08 1700000.00 T= 14323.57 K progress 2.4 25 T -2815886.76 -2385163.97 -2230722.79 1800000.00 T= 14279.455 K progress 2.5 26 T -3016955.93 -2544468.31 -2372487.62 1900000.00 T= 14235.34 K progress 2.6 27 T -3084466.55 -2244170.59 -2040295.95 1200000.00 T= 14220.635 K progress 2.7 28 T -3012600.62 -2342914.67 -2169685.95 1500000.00 T= 14014.765 K progress 2.8 29 R -2889187.24 -2402706.99 -2186480.25 1700000.00 T= 13985.355 K progress 2.9 30 R -2904932.66 -2413059.09 -2191873.56 1700000.00 T= 13970.65 K progress 3.0 31 R -2968902.49 -2379586.67 -2189315.82 1600000.00 T= 13955.945 K progress 3.1 32 T -2973997.39 -2306811.76 -2067185.64 1400000.00 T= 13897.125 K progress 3.2 33 T -3069007.63 -2495251.39 -2273756.24 1700000.00 T= 13838.305 K progress 3.3 34 R -3037386.89 -2487589.46 -2249797.42 1700000.00 T= 13823.6 K progress 3.4 35 T -3191164.11 -2401960.73 -2189203.38 1400000.00 T= 13808.895 K progress 3.5 36 T -3103353.68 -2313689.56 -2089664.12 1300000.00 T= 13794.19 K progress 3.6 37 R -3143846.40 -2338873.41 -2104972.99 1300000.00 T= 13705.96 K progress 3.7 38 R -3066286.57 -2305798.07 -2060488.50 1300000.00 T= 13514.795 K progress 3.8 39 T -3269778.10 -2302880.83 -2066897.27 1100000.00 T= 13485.385 K progress 3.9 40 R -3339748.46 -2285898.18 -2053850.28 1000000.00 T= 13397.155 K progress 4.0 41 R -3320257.00 -2270467.88 -2049789.12 1000000.00 T= 13353.04 K progress 4.1 42 R -2981576.59 -2224084.06 -1957492.54 1200000.00 T= 13264.81 K progress 4.2 43 R -2973539.21 -2219800.49 -1953738.72 1200000.00 T= 13220.695 K progress 4.3 44 R -3055036.60 -2279374.63 -1975661.97 1200000.00 T= 13132.465 K progress 4.4 45 R -3048506.41 -2271086.01 -1977420.40 1200000.00 T= 13073.645 K progress 4.5 46 R -2955898.80 -2213984.38 -1941914.43 1200000.00 T= 13058.94 K progress 4.6 47 R -3054530.07 -2272795.13 -1981734.95 1200000.00 T= 13029.53 K progress 4.7 48 R -3071607.88 -2283564.49 -1988043.39 1200000.00 T= 12956.005 K progress 4.8 49 R -3255021.93 -2287363.33 -2067658.60 1100000.00 T= 12911.89 K progress 4.9 50 R -3248493.53 -2284614.33 -2063879.20 1100000.00 T= 12897.185 K progress 5.0 51 R -3321029.20 -2267603.88 -2053425.32 1000000.00 T= 12882.48 K progress 5.1 52 R -3313916.41 -2267400.02 -2046516.39 1000000.00 T= 12794.25 K progress 5.2 53 T -3235451.02 -2298359.96 -2037091.05 1100000.00 T= 12691.315 K progress 5.3 54 T -2841296.78 -2437732.75 -2203564.03 1800000.00 T= 12544.265 K progress 5.4 55 T -2803026.39 -2218566.12 -1984460.27 1400000.00 T= 12485.445 K progress 5.5 56 R -3025306.29 -2279332.37 -2045973.93 1300000.00 T= 12470.74 K progress 5.6 57 T -3019193.55 -2258498.14 -2060695.41 1300000.00 T= 12441.33 K progress 5.7 58 R -3020357.12 -2259661.71 -2060695.41 1300000.00 T= 12397.215 K progress 5.8 59 R -2960483.32 -2237357.63 -2023125.69 1300000.00 T= 12382.51 K progress 5.9 60 R -2959501.99 -2400561.27 -2158940.72 1600000.00 T= 12279.575 K progress 6.0 61 T -2899924.08 -2356825.06 -2143099.02 1600000.00 T= 12044.295 K progress 6.1 62 T -2735981.56 -2311215.93 -2124765.62 1700000.00 T= 12014.885 K progress 6.2 63 R -2753766.06 -2322175.00 -2131591.06 1700000.00 T= 12000.18 K progress 6.3 64 T -3098899.57 -2288393.74 -2110505.83 1300000.00 T= 11911.95 K progress 6.4 65 R -3270575.45 -2259125.58 -2111449.86 1100000.00 T= 11809.015 K progress 6.5 66 R -3273924.61 -2216050.95 -2057873.66 1000000.00 T= 11706.08 K progress 6.6 67 T -3357961.51 -2150663.65 -2007297.86 800000.00 T= 11588.44 K progress 6.7 68 T -3275708.77 -2123092.51 -1952616.26 800000.00 T= 11500.21 K progress 6.8 69 R -3264675.09 -2115203.23 -1949471.86 800000.00 T= 11456.095 K progress 6.9 70 T -3082626.84 -2305777.46 -2076849.38 1300000.00 T= 11206.11 K progress 7.0 71 R -2951235.13 -2147124.42 -2004110.71 1200000.00 T= 11000.24 K progress 7.1 72 R -3003118.11 -2200944.75 -2002173.36 1200000.00 T= 10985.535 K progress 7.2 73 T -2884321.34 -1957845.34 -1826476.00 900000.00 T= 10970.83 K progress 7.3 74 R -2876744.01 -2015245.84 -1861498.17 1000000.00 T= 10956.125 K progress 7.4 75 R -2306360.78 -1925824.61 -1780536.17 1400000.00 T= 10941.42 K progress 7.5 76 R -2259175.10 -1900398.59 -1758776.51 1400000.00 T= 10926.715 K progress 7.6 77 T -3106052.64 -2139991.74 -1966060.89 1000000.00 T= 10882.6 K progress 7.7 78 R -2986867.32 -2147246.67 -1939620.65 1100000.00 T= 10764.96 K progress 7.8 79 R -2654043.55 -2291842.01 -2062201.54 1700000.00 T= 10706.14 K progress 7.9 80 T -2795371.09 -2236860.54 -2058510.55 1500000.00 T= 10691.435 K progress 8.0 81 R -2789613.99 -2234257.35 -2055356.63 1500000.00 T= 10662.025 K progress 8.1 82 T -2540130.57 -2281616.99 -2058513.58 1800000.00 T= 10647.32 K progress 8.2 83 R -2667275.54 -2396241.55 -2171033.99 1900000.00 T= 10632.615 K progress 8.3 84 R -2680999.82 -2372991.99 -2208007.83 1900000.00 T= 10544.385 K progress 8.4 85 T -3268026.09 -2227354.12 -2040671.97 1000000.00 T= 10500.27 K progress 8.5 86 T -3356585.63 -2265061.73 -2091523.90 1000000.00 T= 10250.285 K progress 8.6 87 R -3462904.77 -2274195.55 -2088709.22 900000.00 T= 10059.12 K progress 8.7 88 R -3462477.08 -2273767.87 -2088709.22 900000.00 T= 9059.18 K progress 8.8 89 R -3368820.42 -2275895.01 -2092925.41 1000000.00 T= 8500.39 K progress 8.9 90 R -3349043.46 -2269489.66 -2079553.81 1000000.00 T= 8353.34 K progress 9.0 91 T -3293768.32 -2273947.53 -2119820.79 1100000.00 T= 8235.7 K progress 9.1 92 R -3392984.46 -2271575.69 -2121408.77 1000000.00 T= 7985.715 K progress 9.2 93 R -3435576.76 -2301914.37 -2133662.39 1000000.00 T= 7088.71 K progress 9.3 94 R -3392984.46 -2271575.69 -2121408.77 1000000.00 T= 6662.265 K progress 9.4 95 R -3389941.95 -2270657.60 -2119284.35 1000000.00 T= 5882.9 K progress 9.5 96 R -3406497.03 -2282549.04 -2123947.99 1000000.00 T= 5824.08 K progress 9.6 97 T -3286700.73 -2233730.59 -2052970.15 1000000.00 T= 4647.68 K progress 9.7 98 R -3313284.61 -2250758.17 -2062526.44 1000000.00 T= 4441.81 K progress 9.8 99 R -3411760.37 -2241378.61 -2070381.76 900000.00 T= 4397.695 K progress 9.9 100 R -3406810.07 -2247084.80 -2059725.27 900000.00 T= 2750.735 K progress 10.0 101 R -3443085.76 -2260362.26 -2082723.49 900000.00 T= 927.315 K progress 10.1 Save no big msg save short traj msg save best.pdb msg save plot e_step.png