start - parameters: File name /home/rpdock/web/media/jobs/12967bbf-65b9-49e9-b7a4-7793b1f8a860//ref_struc/na-prot_11/na-prot_11.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/12967bbf-65b9-49e9-b7a4-7793b1f8a860//ref_struc/na-prot_11/na-prot_11.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 - -2152608.97 -1940116.23 -1912492.74 1700000.00 1 R -2067206.53 -1606098.54 -1561107.99 1100000.00 T= 14882.36 K progress 0.1 2 R -2137748.25 -1593302.64 -1544445.61 1000000.00 T= 14852.95 K progress 0.2 3 R -2045194.57 -1497368.67 -1447825.91 900000.00 T= 14823.54 K progress 0.3 4 T -2054834.30 -1408973.54 -1345860.76 700000.00 T= 14764.72 K progress 0.4 5 T -2221525.84 -1186723.76 -1134802.08 100000.00 T= 14750.015 K progress 0.5 6 T -1907984.73 -1025521.38 -982463.35 100000.00 T= 14617.67 K progress 0.6 7 R -2082589.81 -1117113.91 -1065475.90 100000.00 T= 14529.44 K progress 0.7 8 T -2112096.91 -1183377.53 -1128719.38 200000.00 T= 14367.685 K progress 0.8 9 T -2319241.73 -1240830.15 -1178411.58 100000.00 T= 14352.98 K progress 0.9 10 R -2304534.29 -1234129.37 -1170404.92 100000.00 T= 14264.75 K progress 1.0 11 T -2160580.86 -1155886.95 -1104693.91 100000.00 T= 14250.045 K progress 1.1 12 T -2095730.14 -1122617.50 -1073112.64 100000.00 T= 14205.93 K progress 1.2 13 T -1990429.81 -1052249.89 -1038179.92 100000.00 T= 14161.815 K progress 1.3 14 T -2186331.06 -1375227.49 -1311103.57 500000.00 T= 14147.11 K progress 1.4 15 T -2244078.59 -1183888.56 -1160190.03 100000.00 T= 14102.995 K progress 1.5 16 R -2257866.57 -1296028.31 -1261838.26 300000.00 T= 14044.175 K progress 1.6 17 R -2248049.68 -1290605.38 -1257444.30 300000.00 T= 14000.06 K progress 1.7 18 T -2039563.46 -1279506.48 -1260056.98 500000.00 T= 13955.945 K progress 1.8 19 R -2227436.23 -1325644.92 -1301791.31 400000.00 T= 13926.535 K progress 1.9 20 R -2207650.90 -1317046.90 -1290604.00 400000.00 T= 13867.715 K progress 2.0 21 R -2104259.86 -1179838.23 -1124421.63 200000.00 T= 13794.19 K progress 2.1 22 R -2175654.88 -1256819.38 -1218835.51 300000.00 T= 13779.485 K progress 2.2 23 T -2249862.78 -1229653.11 -1220209.67 200000.00 T= 13764.78 K progress 2.3 24 T -2473849.23 -1354765.14 -1319084.09 200000.00 T= 13750.075 K progress 2.4 25 R -2487910.47 -1317878.41 -1270032.05 100000.00 T= 13720.665 K progress 2.5 26 R -2481553.87 -1358065.39 -1323488.48 200000.00 T= 13632.435 K progress 2.6 27 T -2297679.62 -1428027.59 -1369652.02 500000.00 T= 13573.615 K progress 2.7 28 R -2435277.42 -1294808.11 -1240469.31 100000.00 T= 13558.91 K progress 2.8 29 R -2303955.18 -1236219.00 -1167736.18 100000.00 T= 13470.68 K progress 2.9 30 R -2403865.08 -1340013.09 -1263851.99 200000.00 T= 13397.155 K progress 3.0 31 R -2299896.30 -1275281.79 -1224614.50 200000.00 T= 13235.4 K progress 3.1 32 R -2214870.33 -1374561.72 -1340308.61 500000.00 T= 13176.58 K progress 3.2 33 T -2468928.37 -1486852.98 -1482075.39 500000.00 T= 13161.875 K progress 3.3 34 T -2505474.31 -1432141.98 -1373332.33 300000.00 T= 13147.17 K progress 3.4 35 T -2362289.94 -1362033.58 -1300256.36 300000.00 T= 13014.825 K progress 3.5 36 R -2347653.64 -1307243.54 -1240410.11 200000.00 T= 13000.12 K progress 3.6 37 R -2235020.81 -1337343.67 -1297677.14 400000.00 T= 12970.71 K progress 3.7 38 T -2378953.82 -1488981.79 -1489972.03 600000.00 T= 12911.89 K progress 3.8 39 R -2738767.70 -1630580.34 -1608187.36 500000.00 T= 12897.185 K progress 3.9 40 T -2872828.75 -1701295.24 -1671533.51 500000.00 T= 12882.48 K progress 4.0 41 T -3114048.89 -1826801.65 -1787247.23 500000.00 T= 12823.66 K progress 4.1 42 R -3118179.98 -1881697.49 -1836482.49 600000.00 T= 12779.545 K progress 4.2 43 R -3114070.68 -1776735.26 -1737335.42 400000.00 T= 12558.97 K progress 4.3 44 R -3154166.54 -1902131.16 -1852035.38 600000.00 T= 12470.74 K progress 4.4 45 R -3018820.18 -1677441.18 -1641379.00 300000.00 T= 12279.575 K progress 4.5 46 R -3073230.84 -1860628.41 -1812602.44 600000.00 T= 12264.87 K progress 4.6 47 R -3205226.91 -1820257.48 -1784969.43 400000.00 T= 12235.46 K progress 4.7 48 R -3221457.07 -1827457.42 -1793999.64 400000.00 T= 12132.525 K progress 4.8 49 R -3219265.37 -1824635.51 -1794629.87 400000.00 T= 12059.0 K progress 4.9 50 R -2989420.43 -1655011.64 -1634408.79 300000.00 T= 12044.295 K progress 5.0 51 R -3109546.96 -1775786.28 -1733760.68 400000.00 T= 11985.475 K progress 5.1 52 T -3357057.61 -2097025.85 -2060031.75 800000.00 T= 11941.36 K progress 5.2 53 T -3384636.92 -1883864.23 -1900772.69 400000.00 T= 11691.375 K progress 5.3 54 R -3369385.74 -1882472.43 -1886913.31 400000.00 T= 11661.965 K progress 5.4 55 T -2926509.73 -1708585.77 -1717923.95 500000.00 T= 11367.865 K progress 5.5 56 R -2954452.51 -1671601.62 -1682850.89 400000.00 T= 11353.16 K progress 5.6 57 R -2965699.11 -1622902.63 -1642796.48 300000.00 T= 11176.7 K progress 5.7 58 T -2915386.68 -1549446.14 -1565940.54 200000.00 T= 11117.88 K progress 5.8 59 R -2763915.42 -1623718.91 -1640196.50 500000.00 T= 10970.83 K progress 5.9 60 T -2906960.45 -1654517.36 -1652443.09 400000.00 T= 10956.125 K progress 6.0 61 R -2917221.50 -1666649.13 -1650572.38 400000.00 T= 10941.42 K progress 6.1 62 T -3140172.53 -1771609.74 -1768562.79 400000.00 T= 10926.715 K progress 6.2 63 R -3122525.49 -1771649.15 -1750876.34 400000.00 T= 10882.6 K progress 6.3 64 R -3213072.05 -1811386.08 -1801685.98 400000.00 T= 10544.385 K progress 6.4 65 T -3283209.03 -2154340.04 -2128868.99 1000000.00 T= 10485.565 K progress 6.5 66 R -3347848.24 -2029224.04 -2018624.19 700000.00 T= 10191.465 K progress 6.6 67 R -3338917.76 -2024006.56 -2014911.20 700000.00 T= 10176.76 K progress 6.7 68 R -3333923.75 -2025931.12 -2007992.63 700000.00 T= 10147.35 K progress 6.8 69 R -3346377.69 -2029348.47 -2017029.22 700000.00 T= 9750.315 K progress 6.9 70 R -3361409.91 -2033942.75 -2027467.16 700000.00 T= 9588.56 K progress 7.0 71 R -3379095.09 -2043004.10 -2036090.99 700000.00 T= 9441.51 K progress 7.1 72 R -3167931.77 -1987807.26 -1980124.51 800000.00 T= 9367.985 K progress 7.2 73 R -3382375.22 -2046695.40 -2035679.82 700000.00 T= 8882.72 K progress 7.3 74 R -3540617.33 -2078973.39 -2061643.95 600000.00 T= 8515.095 K progress 7.4 75 T -3251453.47 -1986907.40 -1964546.07 700000.00 T= 7691.615 K progress 7.5 76 R -3156062.88 -1931928.65 -1924134.23 700000.00 T= 7573.975 K progress 7.6 77 R -3122029.89 -1916098.68 -1905931.22 700000.00 T= 7544.565 K progress 7.7 78 T -2940744.39 -1711601.94 -1729142.45 500000.00 T= 7397.515 K progress 7.8 79 R -2939294.13 -1711846.72 -1727447.41 500000.00 T= 7382.81 K progress 7.9 80 R -2965857.23 -1726908.57 -1738948.66 500000.00 T= 7368.105 K progress 8.0 81 T -3039202.71 -1677920.61 -1661282.10 300000.00 T= 7294.58 K progress 8.1 82 R -3108011.87 -1708390.80 -1699621.07 300000.00 T= 7162.235 K progress 8.2 83 T -3136470.93 -1873971.18 -1862499.75 600000.00 T= 7103.415 K progress 8.3 84 R -3272743.57 -1881679.77 -1891063.80 500000.00 T= 7088.71 K progress 8.4 85 T -3349190.20 -1879670.70 -1869519.50 400000.00 T= 6471.1 K progress 8.5 86 R -3350943.40 -1879670.70 -1871272.70 400000.00 T= 6132.885 K progress 8.6 87 R -3285626.72 -1848494.74 -1837131.97 400000.00 T= 5677.03 K progress 8.7 88 R -3304245.56 -1859535.55 -1844710.01 400000.00 T= 5647.62 K progress 8.8 89 R -3306472.25 -1859240.20 -1847232.06 400000.00 T= 5632.915 K progress 8.9 90 R -3150706.38 -1776107.49 -1774598.89 400000.00 T= 5059.42 K progress 9.0 91 R -3022291.89 -1753103.77 -1769188.12 500000.00 T= 4971.19 K progress 9.1 92 R -3137101.93 -1766243.42 -1770858.52 400000.00 T= 4956.485 K progress 9.2 93 T -3113750.74 -1755908.40 -1757842.35 400000.00 T= 4927.075 K progress 9.3 94 T -3083216.41 -1847119.93 -1836096.48 600000.00 T= 4838.845 K progress 9.4 95 T -3140363.21 -1872652.35 -1867710.87 600000.00 T= 4500.63 K progress 9.5 96 T -3189157.25 -1962764.60 -1926392.64 700000.00 T= 4368.285 K progress 9.6 97 R -3226265.95 -2123047.32 -2103218.63 1000000.00 T= 4074.185 K progress 9.7 98 R -3310503.51 -1976270.27 -1934233.24 600000.00 T= 4030.07 K progress 9.8 99 R -3309629.34 -1976451.98 -1933177.37 600000.00 T= 4000.66 K progress 9.9 100 R -3420186.08 -2069469.28 -2050716.80 700000.00 T= 3574.215 K progress 10.0 101 R -3406975.19 -2060339.22 -2046635.97 700000.00 T= 2265.47 K progress 10.1 Save no big msg save short traj msg save best.pdb msg save plot e_step.png