start - parameters: File name /home/rpdock/web/media/jobs/d013c7ca-f2a8-4f9e-896a-80f204c15f16//ref_struc/prot-na_4400/prot-na_4400.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_4400/prot-na_4400.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 - -1914526.88 -2548133.40 -2266393.49 2900000.00 1 R -2553206.46 -2308596.44 -2144610.02 1900000.00 T= 14970.59 K progress 0.1 2 R -2693344.28 -2478217.48 -2315126.80 2100000.00 T= 14955.885 K progress 0.2 3 R -2887605.66 -2242426.04 -2045179.62 1400000.00 T= 14941.18 K progress 0.3 4 R -2850341.37 -2220937.66 -2029403.71 1400000.00 T= 14911.77 K progress 0.4 5 R -2897445.09 -2251222.22 -2046222.87 1400000.00 T= 14882.36 K progress 0.5 6 R -2833422.01 -2210962.58 -2022459.43 1400000.00 T= 14867.655 K progress 0.6 7 R -2778190.12 -2234937.96 -2043252.16 1500000.00 T= 14852.95 K progress 0.7 8 T -2883662.02 -2332875.74 -2150786.28 1600000.00 T= 14838.245 K progress 0.8 9 T -2917486.47 -2340342.61 -2177143.86 1600000.00 T= 14764.72 K progress 0.9 10 R -2953552.52 -2366230.39 -2187322.13 1600000.00 T= 14602.965 K progress 1.0 11 R -2972268.49 -2360517.28 -2211751.21 1600000.00 T= 14573.555 K progress 1.1 12 T -3067869.26 -2414746.08 -2253123.18 1600000.00 T= 14529.44 K progress 1.2 13 R -3051412.51 -2406592.57 -2244819.93 1600000.00 T= 14205.93 K progress 1.3 14 R -3028949.13 -2397454.86 -2231494.26 1600000.00 T= 14117.7 K progress 1.4 15 R -3037189.34 -2401715.15 -2235474.18 1600000.00 T= 14014.765 K progress 1.5 16 R -3038347.48 -2401715.15 -2236632.33 1600000.00 T= 13882.42 K progress 1.6 17 R -2930182.68 -2342161.12 -2188021.57 1600000.00 T= 13823.6 K progress 1.7 18 R -3019947.55 -2391985.45 -2227962.10 1600000.00 T= 13705.96 K progress 1.8 19 R -3012851.69 -2388406.29 -2224445.40 1600000.00 T= 13617.73 K progress 1.9 20 R -3044446.79 -2400783.42 -2243663.37 1600000.00 T= 13588.32 K progress 2.0 21 R -3042647.88 -2398984.51 -2243663.37 1600000.00 T= 13397.155 K progress 2.1 22 R -2928481.41 -2342359.39 -2186122.02 1600000.00 T= 13117.76 K progress 2.2 23 R -2762482.70 -2487162.79 -2275319.91 2000000.00 T= 13073.645 K progress 2.3 24 R -2414567.42 -2412770.82 -2201796.60 2200000.00 T= 12867.775 K progress 2.4 25 T -2715270.09 -2085965.56 -1929304.53 1300000.00 T= 12794.25 K progress 2.5 26 R -2870937.20 -2273638.17 -2097299.03 1500000.00 T= 12558.97 K progress 2.6 27 R -2866128.21 -2268509.17 -2097619.05 1500000.00 T= 12470.74 K progress 2.7 28 T -2995849.83 -2461159.82 -2234690.01 1700000.00 T= 12338.395 K progress 2.8 29 R -2990721.37 -2462662.52 -2228058.85 1700000.00 T= 12073.705 K progress 2.9 30 R -2751243.79 -2390550.78 -2160693.01 1800000.00 T= 11897.245 K progress 3.0 31 R -2751243.79 -2390550.78 -2160693.01 1800000.00 T= 11750.195 K progress 3.1 32 R -2409673.19 -2166252.12 -2043421.06 1800000.00 T= 11706.08 K progress 3.2 33 T -2827150.45 -2061594.45 -1965556.00 1200000.00 T= 11691.375 K progress 3.3 34 R -2905081.85 -2050127.68 -1954954.17 1100000.00 T= 11676.67 K progress 3.4 35 T -3172008.46 -2181282.24 -1990726.22 1000000.00 T= 11661.965 K progress 3.5 36 R -3078253.95 -2126058.93 -1952195.02 1000000.00 T= 11603.145 K progress 3.6 37 T -3031881.32 -2205083.46 -2026797.87 1200000.00 T= 11573.735 K progress 3.7 38 T -3254724.73 -2184595.71 -1970129.01 900000.00 T= 11544.325 K progress 3.8 39 R -3183937.63 -2225718.50 -2058219.12 1100000.00 T= 11470.8 K progress 3.9 40 R -3131040.27 -2194467.10 -2036573.17 1100000.00 T= 11397.275 K progress 4.0 41 R -3193384.14 -2228924.79 -2064459.35 1100000.00 T= 11353.16 K progress 4.1 42 T -3256196.38 -2331082.01 -2125114.37 1200000.00 T= 11338.455 K progress 4.2 43 R -3275161.16 -2338607.49 -2136553.67 1200000.00 T= 11250.225 K progress 4.3 44 R -3279390.87 -2342324.39 -2137066.49 1200000.00 T= 11117.88 K progress 4.4 45 R -3271990.03 -2336716.06 -2135273.97 1200000.00 T= 10662.025 K progress 4.5 46 R -3262123.19 -2334868.33 -2127254.86 1200000.00 T= 10500.27 K progress 4.6 47 R -3280151.09 -2340729.49 -2139421.60 1200000.00 T= 10338.515 K progress 4.7 48 R -3223401.59 -2310030.13 -2113371.47 1200000.00 T= 9353.28 K progress 4.8 49 R -3171807.29 -2332478.41 -2139328.88 1300000.00 T= 9206.23 K progress 4.9 50 R -3084787.90 -2174011.64 -2010776.26 1100000.00 T= 9147.41 K progress 5.0 51 R -3084242.99 -2173466.73 -2010776.26 1100000.00 T= 8823.9 K progress 5.1 52 R -3063342.99 -2241053.50 -2122289.49 1300000.00 T= 8676.85 K progress 5.2 53 R -3060063.47 -2240611.50 -2119451.97 1300000.00 T= 8588.62 K progress 5.3 54 R -3050528.33 -2151733.84 -1998794.49 1100000.00 T= 8500.39 K progress 5.4 55 R -3094004.29 -2256024.12 -2137980.17 1300000.00 T= 8279.815 K progress 5.5 56 R -3043086.95 -2152263.64 -1990823.30 1100000.00 T= 8250.405 K progress 5.6 57 R -3054956.17 -2243060.12 -2111896.05 1300000.00 T= 8176.88 K progress 5.7 58 T -3140494.37 -2168865.48 -2071628.89 1100000.00 T= 7985.715 K progress 5.8 59 R -3277895.41 -2241207.98 -2136687.43 1100000.00 T= 7971.01 K progress 5.9 60 R -3278909.98 -2242401.94 -2136508.04 1100000.00 T= 7838.665 K progress 6.0 61 R -3242852.47 -2225140.79 -2117711.68 1100000.00 T= 7441.63 K progress 6.1 62 R -3175651.32 -2178543.42 -2097107.89 1100000.00 T= 7368.105 K progress 6.2 63 R -3143231.78 -2106955.95 -2036275.82 1000000.00 T= 7323.99 K progress 6.3 64 R -3124188.79 -2158311.03 -2065877.76 1100000.00 T= 7250.465 K progress 6.4 65 R -3090326.73 -2148858.66 -2041468.07 1100000.00 T= 7191.645 K progress 6.5 66 R -3119125.01 -2171367.00 -2047758.02 1100000.00 T= 7118.12 K progress 6.6 67 R -3125322.69 -2174182.73 -2051139.96 1100000.00 T= 7088.71 K progress 6.7 68 T -2996627.37 -2107088.92 -1989538.44 1100000.00 T= 6971.07 K progress 6.8 69 R -2999538.33 -2108833.15 -1990705.18 1100000.00 T= 6926.955 K progress 6.9 70 T -3072495.59 -2145462.34 -2027033.24 1100000.00 T= 6868.135 K progress 7.0 71 R -2983412.61 -2072787.59 -2010625.02 1100000.00 T= 6779.905 K progress 7.1 72 T -2990944.98 -2089677.28 -2001267.71 1100000.00 T= 6706.38 K progress 7.2 73 R -3075311.14 -2082839.61 -1992471.53 1000000.00 T= 6618.15 K progress 7.3 74 R -3111510.52 -2101811.68 -2009698.84 1000000.00 T= 6588.74 K progress 7.4 75 T -3224226.20 -2166663.79 -2057562.41 1000000.00 T= 6191.705 K progress 7.5 76 R -3251838.82 -2181111.57 -2070727.25 1000000.00 T= 5971.13 K progress 7.6 77 R -3196915.61 -2157178.57 -2039737.05 1000000.00 T= 5794.67 K progress 7.7 78 R -3254832.70 -2185402.38 -2069430.32 1000000.00 T= 5735.85 K progress 7.8 79 T -3257448.99 -2168293.06 -2089155.93 1000000.00 T= 5147.65 K progress 7.9 80 R -3201492.02 -2141252.46 -2060239.55 1000000.00 T= 4706.5 K progress 8.0 81 R -3195726.07 -2134906.99 -2060819.08 1000000.00 T= 4632.975 K progress 8.1 82 R -3216951.85 -2152203.48 -2064748.37 1000000.00 T= 4338.875 K progress 8.2 83 R -3224154.00 -2166476.83 -2057677.17 1000000.00 T= 4265.35 K progress 8.3 84 R -3217202.84 -2163126.96 -2054075.88 1000000.00 T= 4221.235 K progress 8.4 85 R -3270101.49 -2189877.12 -2080224.37 1000000.00 T= 4206.53 K progress 8.5 86 R -3270169.03 -2189524.09 -2080644.95 1000000.00 T= 3456.575 K progress 8.6 87 R -3242190.94 -2170419.61 -2071771.33 1000000.00 T= 3059.54 K progress 8.7 88 R -3257039.90 -2188308.98 -2068730.92 1000000.00 T= 2383.11 K progress 8.8 89 R -3251374.92 -2181401.11 -2069973.81 1000000.00 T= 824.38 K progress 8.9 Save no big msg save short traj msg save best.pdb msg save plot e_step.png