start - parameters: File name /home/rpdock/web/media/jobs/9af8942e-5c0d-4581-a9a4-b854422d5dfe//ref_struc/prot-na_5555/prot-na_5555.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/9af8942e-5c0d-4581-a9a4-b854422d5dfe//ref_struc/prot-na_5555/prot-na_5555.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 - -916052.40 -1935897.27 -1680155.12 2700000.00 1 R -1019822.49 -1902614.67 -1617207.83 2500000.00 T= 14850.4576271 K progress 0.338983050847 2 R -992843.15 -1922940.64 -1669902.51 2600000.00 T= 14601.220339 K progress 0.677966101695 3 T -2023644.31 -1803342.02 -1620302.29 1400000.00 T= 14451.6779661 K progress 1.01694915254 4 R -2109489.81 -1853676.96 -1655812.85 1400000.00 T= 14052.8983051 K progress 1.35593220339 5 T -2237376.20 -1928202.36 -1709173.83 1400000.00 T= 13753.8135593 K progress 1.69491525424 6 R -2209390.79 -1905486.13 -1703904.66 1400000.00 T= 13604.2711864 K progress 2.03389830508 7 R -2620641.33 -1912223.04 -1708418.30 1000000.00 T= 13255.3389831 K progress 2.37288135593 8 R -2223749.70 -1921363.68 -1702386.02 1400000.00 T= 12358.0847458 K progress 2.71186440678 9 R -2623137.82 -1907183.96 -1715953.86 1000000.00 T= 12258.3898305 K progress 3.05084745763 10 R -2636307.04 -1925379.33 -1710927.71 1000000.00 T= 12009.1525424 K progress 3.38983050847 11 R -2483079.40 -2018288.49 -1764790.92 1300000.00 T= 11909.4576271 K progress 3.72881355932 12 R -2475032.98 -2014158.10 -1760874.88 1300000.00 T= 11710.0677966 K progress 4.06779661017 13 R -2504000.67 -2010651.38 -1793349.29 1300000.00 T= 11510.6779661 K progress 4.40677966102 14 T -2530828.44 -1908381.89 -1722446.55 1100000.00 T= 11311.2881356 K progress 4.74576271186 15 R -2558668.14 -1886174.40 -1672493.74 1000000.00 T= 11012.2033898 K progress 5.08474576271 16 R -2574346.22 -1894549.06 -1679797.16 1000000.00 T= 10812.8135593 K progress 5.42372881356 17 R -2605949.41 -1912281.90 -1693667.51 1000000.00 T= 10762.9661017 K progress 5.76271186441 18 R -2056648.60 -1829280.71 -1627367.89 1400000.00 T= 10364.1864407 K progress 6.10169491525 19 T -2095253.65 -1861233.91 -1634019.74 1400000.00 T= 10114.9491525 K progress 6.4406779661 20 R -2342244.76 -1930071.29 -1712173.47 1300000.00 T= 10065.1016949 K progress 6.77966101695 21 R -2345362.30 -1932639.33 -1712722.97 1300000.00 T= 10015.2542373 K progress 7.1186440678 22 R -2353139.44 -1939689.11 -1713450.33 1300000.00 T= 9915.55932203 K progress 7.45762711864 23 T -2742832.40 -1887496.53 -1655335.87 800000.00 T= 9865.71186441 K progress 7.79661016949 24 R -2722143.95 -1882370.81 -1639773.15 800000.00 T= 9815.86440678 K progress 8.13559322034 25 T -2638415.47 -2201982.46 -1936433.02 1500000.00 T= 9516.77966102 K progress 8.47457627119 26 R -2731027.25 -2254879.89 -1976147.35 1500000.00 T= 8769.06779661 K progress 8.81355932203 27 R -2891059.72 -2293325.68 -1997734.04 1400000.00 T= 7871.81355932 K progress 9.15254237288 28 R -2981163.61 -2341669.46 -2039494.15 1400000.00 T= 7323.49152542 K progress 9.49152542373 29 T -2781625.28 -2172418.31 -1909206.98 1300000.00 T= 6575.77966102 K progress 9.83050847458 30 R -2777783.20 -2168643.45 -1909139.75 1300000.00 T= 6276.69491525 K progress 10.1694915254 31 T -2762701.29 -1894719.42 -1667981.87 800000.00 T= 5728.37288136 K progress 10.5084745763 32 R -2760046.52 -1869219.50 -1690827.02 800000.00 T= 5429.28813559 K progress 10.8474576271 33 R -2769081.27 -1879975.40 -1689105.87 800000.00 T= 5279.74576271 K progress 11.186440678 34 R -2818964.42 -1905042.87 -1713921.55 800000.00 T= 5030.50847458 K progress 11.5254237288 35 T -2840314.59 -1965834.32 -1774480.27 900000.00 T= 4980.66101695 K progress 11.8644067797 36 T -3177590.85 -2362586.74 -2115004.11 1300000.00 T= 4781.27118644 K progress 12.2033898305 37 R -3198104.92 -2366679.67 -2131425.26 1300000.00 T= 1890.11864407 K progress 12.5423728814 38 R -3208900.89 -2371910.91 -2136989.98 1300000.00 T= 444.542372881 K progress 12.8813559322 Save no big msg save short traj msg save best.pdb msg save plot e_step.png