start - parameters: File name /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5328/prot-na_5328.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_5328/prot-na_5328.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 - -2431637.27 -1799461.11 -1532176.16 900000.00 1 R -2411112.88 -1786851.79 -1524261.09 900000.00 T= 14950.1525424 K progress 0.338983050847 2 R -2625802.98 -1855527.62 -1570275.35 800000.00 T= 14900.3050847 K progress 0.677966101695 3 T -2572548.53 -1906393.67 -1666154.86 1000000.00 T= 14601.220339 K progress 1.01694915254 4 T -2564727.50 -1871278.81 -1593448.69 900000.00 T= 14551.3728814 K progress 1.35593220339 5 T -2650452.48 -1837340.27 -1613112.21 800000.00 T= 14501.5254237 K progress 1.69491525424 6 R -2820422.94 -1872902.69 -1647520.26 700000.00 T= 14451.6779661 K progress 2.03389830508 7 R -2810525.47 -1864225.92 -1646299.55 700000.00 T= 14351.9830508 K progress 2.37288135593 8 R -2829925.96 -1889471.08 -1640454.88 700000.00 T= 14152.5932203 K progress 2.71186440678 9 T -2739369.48 -1951617.28 -1687752.19 900000.00 T= 14102.7457627 K progress 3.05084745763 10 T -2835018.71 -1917135.62 -1617883.08 700000.00 T= 13853.5084746 K progress 3.38983050847 11 R -2610524.63 -1834410.18 -1676114.45 900000.00 T= 13753.8135593 K progress 3.72881355932 12 R -2881571.90 -1879567.28 -1702004.62 700000.00 T= 13703.9661017 K progress 4.06779661017 13 R -2808939.70 -1926470.72 -1682468.97 800000.00 T= 13654.1186441 K progress 4.40677966102 14 R -2930797.67 -1905022.35 -1725775.32 700000.00 T= 13554.4237288 K progress 4.74576271186 15 T -3128318.26 -1861492.02 -1666826.23 400000.00 T= 13305.1864407 K progress 5.08474576271 16 T -3081368.76 -1911857.13 -1669511.63 500000.00 T= 13255.3389831 K progress 5.42372881356 17 T -3183472.15 -1820872.40 -1562599.75 200000.00 T= 13105.7966102 K progress 5.76271186441 18 T -3190872.68 -1807224.62 -1583648.06 200000.00 T= 12756.8644068 K progress 6.10169491525 19 T -3300895.75 -1966205.53 -1734690.21 400000.00 T= 12657.1694915 K progress 6.4406779661 20 R -3265900.17 -1946665.25 -1719234.93 400000.00 T= 12108.8474576 K progress 6.77966101695 21 R -3260617.41 -1941640.94 -1718976.46 400000.00 T= 11809.7627119 K progress 7.1186440678 22 R -3012943.50 -1929180.83 -1683762.66 600000.00 T= 11710.0677966 K progress 7.45762711864 23 R -3160474.56 -1957219.56 -1703255.00 500000.00 T= 11510.6779661 K progress 7.79661016949 24 R -3161357.55 -1959199.93 -1702157.62 500000.00 T= 11361.1355932 K progress 8.13559322034 25 R -3166580.27 -1957215.29 -1709364.97 500000.00 T= 11211.5932203 K progress 8.47457627119 26 R -3298861.27 -1967560.56 -1731300.71 400000.00 T= 11111.8983051 K progress 8.81355932203 27 T -3017793.98 -1939791.17 -1678002.81 600000.00 T= 10114.9491525 K progress 9.15254237288 28 R -2998170.26 -1903673.12 -1694497.14 600000.00 T= 10015.2542373 K progress 9.49152542373 29 T -2970722.37 -1885607.74 -1685114.63 600000.00 T= 9865.71186441 K progress 9.83050847458 30 R -2969829.57 -1904752.45 -1665077.12 600000.00 T= 9616.47457627 K progress 10.1694915254 31 T -3009120.02 -1864370.55 -1644749.46 500000.00 T= 8918.61016949 K progress 10.5084745763 32 T -3075179.73 -1848884.09 -1626295.64 400000.00 T= 8868.76271186 K progress 10.8474576271 33 R -3031539.22 -1828889.92 -1602649.30 400000.00 T= 8818.91525424 K progress 11.186440678 34 R -3052653.66 -1838061.04 -1614592.62 400000.00 T= 8619.52542373 K progress 11.5254237288 35 R -3001483.02 -1805159.58 -1596323.44 400000.00 T= 8569.6779661 K progress 11.8644067797 36 R -3172175.62 -1915247.57 -1656928.05 400000.00 T= 8469.98305085 K progress 12.2033898305 37 R -3159786.47 -1901920.38 -1657866.09 400000.00 T= 8320.44067797 K progress 12.5423728814 38 R -3103953.02 -1883494.21 -1620458.81 400000.00 T= 8121.05084746 K progress 12.8813559322 39 R -3087607.00 -1874390.17 -1613216.83 400000.00 T= 7921.66101695 K progress 13.2203389831 40 R -3131521.49 -1886636.86 -1644884.64 400000.00 T= 7871.81355932 K progress 13.5593220339 41 R -3131521.49 -1886636.86 -1644884.64 400000.00 T= 7423.18644068 K progress 13.8983050847 42 R -3235369.77 -1926672.11 -1708697.66 400000.00 T= 7323.49152542 K progress 14.2372881356 43 R -3354496.97 -1938450.57 -1716046.40 300000.00 T= 7173.94915254 K progress 14.5762711864 44 R -3239311.73 -1883775.22 -1655536.51 300000.00 T= 5180.05084746 K progress 14.9152542373 45 R -3239311.73 -1883775.22 -1655536.51 300000.00 T= 5130.20338983 K progress 15.2542372881 46 R -3329879.80 -1933215.02 -1696664.78 300000.00 T= 4781.27118644 K progress 15.593220339 47 R -3311998.80 -1920727.01 -1691271.79 300000.00 T= 3485.23728814 K progress 15.9322033898 48 R -3342138.96 -1936628.53 -1705510.44 300000.00 T= 2538.13559322 K progress 16.2711864407 49 R -3333918.79 -1934081.24 -1699837.56 300000.00 T= 2288.89830508 K progress 16.6101694915 50 R -3337704.88 -1934527.12 -1703177.76 300000.00 T= 1640.88135593 K progress 16.9491525424 Save no big msg save short traj msg save best.pdb msg save plot e_step.png