start - parameters: File name /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//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/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//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 -1069211.30 -1953275.61 -1715935.69 2600000.00 T= 15000.0 K progress 0.338983050847 2 R -984637.00 -1915149.32 -1669487.69 2600000.00 T= 14900.3050847 K progress 0.677966101695 3 R -1364488.94 -1910688.16 -1653800.79 2200000.00 T= 14850.4576271 K progress 1.01694915254 4 T -1581616.92 -1832713.72 -1648903.21 1900000.00 T= 14750.7627119 K progress 1.35593220339 5 R -1617352.92 -1888994.98 -1628357.94 1900000.00 T= 14551.3728814 K progress 1.69491525424 6 R -1673536.92 -1877994.54 -1695542.38 1900000.00 T= 14152.5932203 K progress 2.03389830508 7 T -1967377.90 -1976646.38 -1790731.52 1800000.00 T= 14052.8983051 K progress 2.37288135593 8 T -1795175.94 -2111777.04 -1883398.90 2200000.00 T= 13903.3559322 K progress 2.71186440678 9 T -2309873.68 -2022149.85 -1787723.83 1500000.00 T= 13853.5084746 K progress 3.05084745763 10 T -2018510.57 -2247381.01 -1971129.55 2200000.00 T= 13703.9661017 K progress 3.38983050847 11 R -2292927.27 -2022347.60 -1870579.67 1600000.00 T= 13654.1186441 K progress 3.72881355932 12 T -2875238.81 -2009778.33 -1865460.48 1000000.00 T= 13404.8813559 K progress 4.06779661017 13 R -2617569.63 -1995719.94 -1821849.69 1200000.00 T= 12906.4067797 K progress 4.40677966102 14 T -2691492.50 -2118129.30 -1873363.20 1300000.00 T= 12707.0169492 K progress 4.74576271186 15 R -3104258.17 -2284524.76 -2019733.41 1200000.00 T= 12657.1694915 K progress 5.08474576271 16 R -3088509.05 -2282799.46 -2005709.59 1200000.00 T= 12607.3220339 K progress 5.42372881356 17 T -3137431.46 -2388366.66 -2149064.80 1400000.00 T= 12507.6271186 K progress 5.76271186441 18 R -3115202.90 -2386657.36 -2128545.54 1400000.00 T= 12358.0847458 K progress 6.10169491525 19 R -3115823.44 -2387277.90 -2128545.54 1400000.00 T= 12308.2372881 K progress 6.4406779661 20 R -3114809.72 -2374230.61 -2140579.10 1400000.00 T= 12158.6949153 K progress 6.77966101695 21 R -3138264.56 -2392450.23 -2145814.33 1400000.00 T= 11660.220339 K progress 7.1186440678 22 R -3093837.90 -2384276.33 -2109561.57 1400000.00 T= 8619.52542373 K progress 7.45762711864 23 T -3261209.68 -2363893.54 -2097316.14 1200000.00 T= 7722.27118644 K progress 7.79661016949 24 R -3372599.03 -2364398.72 -2108200.31 1100000.00 T= 7672.42372881 K progress 8.13559322034 25 R -3345842.32 -2348344.72 -2097497.60 1100000.00 T= 7622.57627119 K progress 8.47457627119 26 R -3368052.55 -2363757.78 -2104294.77 1100000.00 T= 4831.11864407 K progress 8.81355932203 27 R -3377753.32 -2369937.92 -2107815.40 1100000.00 T= 3983.71186441 K progress 9.15254237288 28 R -3349149.47 -2352332.48 -2096816.99 1100000.00 T= 3884.01694915 K progress 9.49152542373 29 R -3347880.69 -2353036.84 -2094843.85 1100000.00 T= 2986.76271186 K progress 9.83050847458 30 R -3356261.50 -2358867.52 -2097393.97 1100000.00 T= 2338.74576271 K progress 10.1694915254 31 R -3345164.22 -2351424.18 -2093740.05 1100000.00 T= 2189.20338983 K progress 10.5084745763 Save no big msg save short traj msg save best.pdb msg save plot e_step.png