start - parameters: File name /home/rpdock/web/media/jobs/f7013d68-6b34-49b0-8df9-a432b0fb0c11//ref_struc/prot-na_575/prot-na_575.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_575/prot-na_575.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 - -1063012.69 -1938019.97 -1724992.71 2600000.00 1 R -919203.76 -1908337.38 -1710866.37 2700000.00 T= 14900.3050847 K progress 0.338983050847 2 R -927011.45 -1917162.11 -1709849.34 2700000.00 T= 14651.0677966 K progress 0.677966101695 3 T -1062221.28 -1834494.11 -1627727.16 2400000.00 T= 14551.3728814 K progress 1.01694915254 4 R -713966.95 -1810329.17 -1603637.78 2700000.00 T= 11560.5254237 K progress 1.35593220339 5 R -869595.28 -1801169.85 -1568425.44 2500000.00 T= 11510.6779661 K progress 1.69491525424 6 R -884851.66 -1807844.76 -1577006.89 2500000.00 T= 11261.440678 K progress 2.03389830508 7 R -879561.38 -1805095.76 -1574465.62 2500000.00 T= 11211.5932203 K progress 2.37288135593 8 R -738017.35 -1827430.43 -1610586.92 2700000.00 T= 11111.8983051 K progress 2.71186440678 9 T -1087959.21 -1845997.11 -1641962.10 2400000.00 T= 11062.0508475 K progress 3.05084745763 10 T -1541774.34 -1773736.39 -1568037.95 1800000.00 T= 10663.2711864 K progress 3.38983050847 11 R -1561215.33 -1795150.83 -1566064.50 1800000.00 T= 10414.0338983 K progress 3.72881355932 12 T -1699884.52 -1725614.59 -1574269.93 1600000.00 T= 10015.2542373 K progress 4.06779661017 13 R -2069071.12 -1710878.03 -1558193.09 1200000.00 T= 9965.40677966 K progress 4.40677966102 14 T -2035830.75 -1638166.71 -1497664.04 1100000.00 T= 9915.55932203 K progress 4.74576271186 15 R -2202529.04 -1659759.90 -1542769.14 1000000.00 T= 9865.71186441 K progress 5.08474576271 16 R -2235537.55 -1685024.70 -1550512.85 1000000.00 T= 9815.86440678 K progress 5.42372881356 17 R -2234078.54 -1684435.14 -1549643.41 1000000.00 T= 9666.3220339 K progress 5.76271186441 18 R -2203467.30 -1659866.33 -1543600.97 1000000.00 T= 9616.47457627 K progress 6.10169491525 19 R -2201773.96 -1663666.58 -1538107.37 1000000.00 T= 9417.08474576 K progress 6.4406779661 20 R -2222718.39 -1671755.39 -1550963.00 1000000.00 T= 9317.38983051 K progress 6.77966101695 21 R -2233127.93 -1671776.27 -1561351.66 1000000.00 T= 8968.45762712 K progress 7.1186440678 22 T -2113296.42 -1563186.69 -1450109.72 900000.00 T= 8868.76271186 K progress 7.45762711864 23 T -2400951.10 -1590422.42 -1510528.68 700000.00 T= 8669.37288136 K progress 7.79661016949 24 R -2348147.21 -1578187.52 -1469959.69 700000.00 T= 8370.28813559 K progress 8.13559322034 25 R -2495929.31 -1609900.00 -1486029.31 600000.00 T= 8320.44067797 K progress 8.47457627119 26 R -2511407.34 -1617583.51 -1493823.84 600000.00 T= 2936.91525424 K progress 8.81355932203 Save no big msg save short traj msg save best.pdb msg save plot e_step.png