start - parameters: File name /home/rpdock/web/media/jobs/f7013d68-6b34-49b0-8df9-a432b0fb0c11//ref_struc/prot-na_2447/prot-na_2447.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/f7013d68-6b34-49b0-8df9-a432b0fb0c11//ref_struc/prot-na_2447/prot-na_2447.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue A1 in the chain B has not P atom 0 - -1587809.47 -1791511.98 -1796297.49 2000000.00 1 R -1617328.29 -1804220.77 -1813107.52 2000000.00 T= 14950.1525424 K progress 0.338983050847 2 R -1638237.83 -1809426.24 -1828811.59 2000000.00 T= 13454.7288136 K progress 0.677966101695 3 R -1704266.27 -1805390.10 -1798876.17 1900000.00 T= 13205.4915254 K progress 1.01694915254 4 R -1703658.39 -1805063.85 -1798594.54 1900000.00 T= 12956.2542373 K progress 1.35593220339 5 R -1076135.30 -1762135.08 -1714000.22 2400000.00 T= 12407.9322034 K progress 1.69491525424 6 R -1070169.93 -1760165.55 -1710004.37 2400000.00 T= 12358.0847458 K progress 2.03389830508 7 T -1919084.12 -1670701.61 -1648382.51 1400000.00 T= 12258.3898305 K progress 2.37288135593 8 T -1824261.71 -1668936.78 -1655324.93 1500000.00 T= 12208.5423729 K progress 2.71186440678 9 R -1805511.19 -1690013.41 -1715497.78 1600000.00 T= 12158.6949153 K progress 3.05084745763 10 R -1710348.27 -1662128.18 -1648220.09 1600000.00 T= 11759.9152542 K progress 3.38983050847 11 R -1986631.40 -1737978.53 -1748652.87 1500000.00 T= 11710.0677966 K progress 3.72881355932 12 T -1985770.61 -1732516.03 -1753254.58 1500000.00 T= 11361.1355932 K progress 4.06779661017 13 T -2100658.97 -1813771.07 -1786887.89 1500000.00 T= 10065.1016949 K progress 4.40677966102 14 R -2086995.84 -1802265.14 -1784730.70 1500000.00 T= 9716.16949153 K progress 4.74576271186 15 R -2043008.61 -1788443.53 -1754565.08 1500000.00 T= 9367.23728814 K progress 5.08474576271 16 R -2202794.39 -1829130.33 -1773664.06 1400000.00 T= 9217.69491525 K progress 5.42372881356 17 R -2195155.83 -1824988.50 -1770167.33 1400000.00 T= 9068.15254237 K progress 5.76271186441 18 T -2254121.87 -1863865.94 -1790255.93 1400000.00 T= 8769.06779661 K progress 6.10169491525 19 T -2237911.42 -1840112.50 -1797798.92 1400000.00 T= 8071.20338983 K progress 6.4406779661 20 R -2250273.25 -1842454.13 -1807819.13 1400000.00 T= 7971.50847458 K progress 6.77966101695 21 R -2120295.28 -1822867.80 -1797427.48 1500000.00 T= 7572.72881356 K progress 7.1186440678 22 R -2255241.96 -1843179.12 -1812062.84 1400000.00 T= 7522.88135593 K progress 7.45762711864 23 R -2255243.46 -1844996.32 -1810247.14 1400000.00 T= 6924.71186441 K progress 7.79661016949 24 R -2255484.41 -1844212.59 -1811271.82 1400000.00 T= 5628.6779661 K progress 8.13559322034 25 R -2291828.78 -1858324.51 -1833504.26 1400000.00 T= 4382.49152542 K progress 8.47457627119 Save no big msg save short traj msg save best.pdb msg save plot e_step.png