start - parameters: File name /home/rpdock/web/media/jobs/0c17a33b-57b0-4db6-9093-e9acf9d964c1//ref_struc/na-prot_19615/na-prot_19615.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/0c17a33b-57b0-4db6-9093-e9acf9d964c1//ref_struc/na-prot_19615/na-prot_19615.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen 0 - -1479330.98 -1272750.47 -1106580.52 900000.00 1 T -1489142.15 -1285299.52 -1103842.63 900000.00 T= 14970.59 K progress 0.1 2 T -1791673.83 -1175477.70 -1016196.13 400000.00 T= 14955.885 K progress 0.2 3 R -1807543.71 -1242770.99 -1064772.72 500000.00 T= 14926.475 K progress 0.3 4 T -1858773.13 -1178315.87 -980457.27 300000.00 T= 14852.95 K progress 0.4 5 T -1819787.03 -1313725.94 -1106061.09 600000.00 T= 14808.835 K progress 0.5 6 T -1496265.34 -1385679.68 -1210585.66 1100000.00 T= 14779.425 K progress 0.6 7 T -1770633.43 -1259921.20 -1110712.23 600000.00 T= 14764.72 K progress 0.7 8 R -1954911.11 -1317116.04 -1137795.07 500000.00 T= 14676.49 K progress 0.8 9 R -1788678.40 -1278658.57 -1110019.83 600000.00 T= 14602.965 K progress 0.9 10 T -1877114.68 -1283310.18 -1093804.49 500000.00 T= 14573.555 K progress 1.0 11 R -2074164.47 -1326451.86 -1147712.61 400000.00 T= 14514.735 K progress 1.1 12 R -2019571.54 -1349395.00 -1170176.54 500000.00 T= 14470.62 K progress 1.2 13 R -2072768.53 -1375524.72 -1197243.81 500000.00 T= 14294.16 K progress 1.3 14 R -2049568.69 -1367569.07 -1181999.61 500000.00 T= 14205.93 K progress 1.4 15 R -1966292.64 -1389244.76 -1177047.89 600000.00 T= 14191.225 K progress 1.5 16 R -1990791.29 -1330824.56 -1159966.73 500000.00 T= 14132.405 K progress 1.6 17 R -1985411.20 -1324581.92 -1160829.28 500000.00 T= 14073.585 K progress 1.7 18 R -1656287.44 -1254782.14 -1101505.30 700000.00 T= 13970.65 K progress 1.8 19 T -1805053.38 -1218667.20 -1086386.17 500000.00 T= 13941.24 K progress 1.9 20 T -1621158.26 -1078611.37 -942546.89 400000.00 T= 13823.6 K progress 2.0 21 R -1703136.85 -1117213.30 -985923.55 400000.00 T= 13794.19 K progress 2.1 22 T -1787441.39 -1177935.20 -1009506.19 400000.00 T= 13764.78 K progress 2.2 23 R -1870894.85 -1225539.91 -1045354.94 400000.00 T= 13720.665 K progress 2.3 24 T -1774974.47 -1263332.28 -1111642.19 600000.00 T= 13647.14 K progress 2.4 25 T -1797991.29 -1276829.94 -1121161.35 600000.00 T= 13617.73 K progress 2.5 26 R -1854854.15 -1308351.14 -1146503.01 600000.00 T= 13603.025 K progress 2.6 27 R -1810211.74 -1284220.90 -1125990.84 600000.00 T= 13485.385 K progress 2.7 28 R -1861389.99 -1214707.84 -1046682.14 400000.00 T= 13455.975 K progress 2.8 29 T -1844980.31 -1219478.54 -1025501.77 400000.00 T= 13441.27 K progress 2.9 30 R -1612054.43 -1249922.09 -1062132.34 700000.00 T= 13397.155 K progress 3.0 31 R -1436277.58 -1267333.56 -1068944.02 900000.00 T= 13382.45 K progress 3.1 32 T -1917806.29 -1203509.90 -1014296.39 300000.00 T= 13353.04 K progress 3.2 33 T -1766326.96 -1227364.41 -1038962.55 500000.00 T= 13264.81 K progress 3.3 34 T -1815017.66 -1289198.51 -1125819.15 600000.00 T= 13250.105 K progress 3.4 35 R -2045821.30 -1376528.67 -1169292.63 500000.00 T= 13103.055 K progress 3.5 36 R -2058521.39 -1377990.52 -1180530.87 500000.00 T= 13044.235 K progress 3.6 37 R -2029873.32 -1361436.53 -1168436.79 500000.00 T= 12897.185 K progress 3.7 38 R -2015174.43 -1356873.40 -1158301.03 500000.00 T= 12735.43 K progress 3.8 39 T -1925702.20 -1355242.86 -1170459.33 600000.00 T= 12706.02 K progress 3.9 40 R -1928523.18 -1358063.85 -1170459.33 600000.00 T= 12676.61 K progress 4.0 41 R -1929603.58 -1361670.71 -1167932.87 600000.00 T= 12617.79 K progress 4.1 42 R -1928468.74 -1358063.85 -1170404.89 600000.00 T= 12456.035 K progress 4.2 43 R -1982596.28 -1395137.32 -1187458.96 600000.00 T= 12206.05 K progress 4.3 44 R -1968816.07 -1384838.71 -1183977.35 600000.00 T= 12161.935 K progress 4.4 45 R -1949969.82 -1368730.22 -1181239.60 600000.00 T= 12132.525 K progress 4.5 46 T -1954201.43 -1321453.14 -1132748.30 500000.00 T= 12059.0 K progress 4.6 47 R -2041065.33 -1367547.86 -1173517.46 500000.00 T= 12044.295 K progress 4.7 48 R -1763434.53 -1251635.95 -1111798.58 600000.00 T= 11853.13 K progress 4.8 49 R -1840458.49 -1340711.35 -1199747.14 700000.00 T= 11838.425 K progress 4.9 50 R -1710551.01 -1326956.32 -1183594.69 800000.00 T= 11823.72 K progress 5.0 51 R -1738088.26 -1295770.19 -1142318.08 700000.00 T= 11779.605 K progress 5.1 52 T -1687681.12 -1171791.72 -1015889.39 500000.00 T= 11750.195 K progress 5.2 53 R -1832819.00 -1191962.30 -1040856.71 400000.00 T= 11661.965 K progress 5.3 54 R -1835832.80 -1198040.49 -1037792.31 400000.00 T= 11588.44 K progress 5.4 55 R -1817442.91 -1242941.20 -1074501.71 500000.00 T= 11353.16 K progress 5.5 56 R -1824968.58 -1249812.68 -1075155.91 500000.00 T= 11323.75 K progress 5.6 57 R -1824968.58 -1249812.68 -1075155.91 500000.00 T= 11309.045 K progress 5.7 58 T -1786050.17 -1367068.94 -1218981.23 800000.00 T= 11279.635 K progress 5.8 59 T -1853241.02 -1405246.60 -1247994.43 800000.00 T= 11206.11 K progress 5.9 60 R -1864393.25 -1411593.06 -1252800.19 800000.00 T= 11161.995 K progress 6.0 61 T -1943904.37 -1406231.47 -1237672.90 700000.00 T= 11117.88 K progress 6.1 62 R -1951595.37 -1403282.38 -1248312.99 700000.00 T= 11088.47 K progress 6.2 63 T -1796987.13 -1361241.68 -1235745.45 800000.00 T= 10867.895 K progress 6.3 64 R -1845943.40 -1390441.73 -1255501.68 800000.00 T= 10764.96 K progress 6.4 65 R -1846946.98 -1391445.30 -1255501.68 800000.00 T= 10720.845 K progress 6.5 66 T -1828733.29 -1399469.56 -1229263.73 800000.00 T= 10632.615 K progress 6.6 67 R -1821074.40 -1396213.43 -1224860.97 800000.00 T= 10500.27 K progress 6.7 68 T -1989802.83 -1483582.71 -1306220.12 800000.00 T= 10485.565 K progress 6.8 69 T -1925817.28 -1441687.21 -1284130.07 800000.00 T= 10470.86 K progress 6.9 70 R -1882695.98 -1419992.27 -1262703.71 800000.00 T= 10309.105 K progress 7.0 71 T -1881756.16 -1435868.62 -1245887.54 800000.00 T= 10279.695 K progress 7.1 72 R -1881756.16 -1435868.62 -1245887.54 800000.00 T= 10059.12 K progress 7.2 73 R -1884936.95 -1435755.55 -1249181.40 800000.00 T= 9985.595 K progress 7.3 74 T -1870119.75 -1423395.28 -1246724.47 800000.00 T= 9956.185 K progress 7.4 75 R -1933498.04 -1469017.11 -1264480.92 800000.00 T= 9941.48 K progress 7.5 76 R -1942734.45 -1473410.64 -1269323.81 800000.00 T= 9838.545 K progress 7.6 77 R -2037947.94 -1467004.83 -1270943.11 700000.00 T= 9809.135 K progress 7.7 78 T -2113090.15 -1491870.26 -1321219.90 700000.00 T= 9779.725 K progress 7.8 79 R -2125428.25 -1503895.28 -1321532.97 700000.00 T= 9529.74 K progress 7.9 80 R -2069128.84 -1472933.30 -1296195.54 700000.00 T= 9382.69 K progress 8.0 81 R -2073175.08 -1475392.05 -1297783.03 700000.00 T= 8868.015 K progress 8.1 82 R -2130053.65 -1505940.22 -1324113.43 700000.00 T= 8500.39 K progress 8.2 83 R -2113413.31 -1500652.11 -1312761.20 700000.00 T= 7897.485 K progress 8.3 84 R -2113528.26 -1500652.11 -1312876.15 700000.00 T= 7823.96 K progress 8.4 85 R -2043229.72 -1456680.63 -1286549.09 700000.00 T= 7662.205 K progress 8.5 86 R -2121079.25 -1504218.06 -1316861.20 700000.00 T= 7515.155 K progress 8.6 87 R -2136210.92 -1509786.08 -1326424.84 700000.00 T= 7044.595 K progress 8.7 88 R -2070789.35 -1469929.01 -1300860.34 700000.00 T= 6897.545 K progress 8.8 89 R -1982392.86 -1425718.58 -1256674.28 700000.00 T= 6559.33 K progress 8.9 90 R -1977462.21 -1417506.54 -1259955.67 700000.00 T= 6324.05 K progress 9.0 91 R -1966475.32 -1483988.24 -1282487.08 800000.00 T= 6177.0 K progress 9.1 92 R -1957180.20 -1477190.19 -1279990.01 800000.00 T= 6162.295 K progress 9.2 93 R -1923652.32 -1449989.64 -1273662.67 800000.00 T= 5956.425 K progress 9.3 94 R -1974974.31 -1485251.57 -1289722.74 800000.00 T= 5912.31 K progress 9.4 95 T -1777481.91 -1372640.36 -1204841.55 800000.00 T= 5897.605 K progress 9.5 96 T -1991420.07 -1500506.13 -1290913.95 800000.00 T= 5868.195 K progress 9.6 97 T -1874942.18 -1419751.73 -1255190.45 800000.00 T= 5662.325 K progress 9.7 98 R -1892746.87 -1432313.31 -1260433.56 800000.00 T= 5632.915 K progress 9.8 99 R -1824981.03 -1495271.11 -1329709.92 1000000.00 T= 5529.98 K progress 9.9 100 R -1844691.82 -1406090.36 -1238601.45 800000.00 T= 5471.16 K progress 10.0 101 R -1867735.22 -1419376.17 -1248359.05 800000.00 T= 5456.455 K progress 10.1 102 T -1877257.21 -1428887.91 -1248369.31 800000.00 T= 5412.34 K progress 10.2 103 R -1866040.18 -1424874.24 -1241165.94 800000.00 T= 5338.815 K progress 10.3 104 R -1954540.96 -1453353.53 -1301187.43 800000.00 T= 5191.765 K progress 10.4 105 R -1938950.87 -1446700.60 -1292250.27 800000.00 T= 5118.24 K progress 10.5 106 R -1906890.55 -1431608.30 -1275282.25 800000.00 T= 5103.535 K progress 10.6 107 R -1917572.33 -1436647.73 -1280924.60 800000.00 T= 5015.305 K progress 10.7 108 R -1934773.07 -1443810.18 -1290962.89 800000.00 T= 4897.665 K progress 10.8 109 T -1870746.44 -1474314.57 -1296431.87 900000.00 T= 4838.845 K progress 10.9 110 T -1919711.14 -1464417.87 -1255293.27 800000.00 T= 4780.025 K progress 11.0 111 R -2019062.64 -1445817.73 -1273244.91 700000.00 T= 4677.09 K progress 11.1 112 R -2041360.95 -1459478.98 -1281881.97 700000.00 T= 3515.395 K progress 11.2 113 R -2041360.95 -1459478.98 -1281881.97 700000.00 T= 3250.705 K progress 11.3 114 R -2041851.32 -1460599.68 -1281251.64 700000.00 T= 2927.195 K progress 11.4 115 R -2042003.89 -1460616.87 -1281387.02 700000.00 T= 2883.08 K progress 11.5 116 R -2054797.04 -1465195.60 -1289601.44 700000.00 T= 2794.85 K progress 11.6 117 R -2085075.25 -1491984.15 -1293091.10 700000.00 T= 2603.685 K progress 11.7 118 R -2083605.54 -1483007.07 -1300598.47 700000.00 T= 1927.255 K progress 11.8 119 R -2083451.98 -1485477.90 -1297974.08 700000.00 T= 1809.615 K progress 11.9 120 R -2091764.94 -1492718.53 -1299046.41 700000.00 T= 1544.925 K progress 12.0 121 R -2093851.09 -1496988.34 -1296862.75 700000.00 T= 1089.07 K progress 12.1 122 R -2112264.63 -1505848.07 -1306416.57 700000.00 T= 956.725 K progress 12.2 123 R -2112290.70 -1506759.24 -1305531.47 700000.00 T= 927.315 K progress 12.3 124 R -2131444.65 -1514256.21 -1317188.44 700000.00 T= 765.56 K progress 12.4 Save no big msg save short traj msg save best.pdb msg save plot e_step.png