start - parameters: File name /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_2977/prot-na_2977.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_2977/prot-na_2977.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 - -2586297.08 -1828725.25 -1557571.83 800000.00 1 R -2765967.49 -1783082.40 -1482885.09 500000.00 T= 15000.0 K progress 0.338983050847 2 R -2782823.88 -1793414.51 -1489409.37 500000.00 T= 14850.4576271 K progress 0.677966101695 3 R -2697784.87 -1882745.38 -1615039.49 800000.00 T= 14601.220339 K progress 1.01694915254 4 R -3056103.75 -1908256.99 -1647846.76 500000.00 T= 14501.5254237 K progress 1.35593220339 5 T -3206621.12 -2008792.47 -1797828.65 600000.00 T= 14351.9830508 K progress 1.69491525424 6 R -3055481.24 -1992362.92 -1763118.32 700000.00 T= 13654.1186441 K progress 2.03389830508 7 R -3039908.18 -1985751.42 -1754156.76 700000.00 T= 13554.4237288 K progress 2.37288135593 8 R -3225635.46 -2022680.37 -1802955.08 600000.00 T= 13454.7288136 K progress 2.71186440678 9 R -3225635.46 -2022680.37 -1802955.08 600000.00 T= 13404.8813559 K progress 3.05084745763 10 T -3212702.31 -2019213.83 -1793488.48 600000.00 T= 13255.3389831 K progress 3.38983050847 11 R -3232191.38 -2041248.46 -1790942.92 600000.00 T= 12407.9322034 K progress 3.72881355932 12 R -3194125.76 -2012980.77 -1781144.98 600000.00 T= 11759.9152542 K progress 4.06779661017 13 T -3216538.35 -1926356.02 -1690182.33 400000.00 T= 11062.0508475 K progress 4.40677966102 14 R -3243630.65 -1939635.16 -1703995.49 400000.00 T= 10812.8135593 K progress 4.74576271186 15 R -3229952.45 -1933544.13 -1696408.32 400000.00 T= 10762.9661017 K progress 5.08474576271 16 T -3103278.81 -1873187.51 -1630091.30 400000.00 T= 9865.71186441 K progress 5.42372881356 17 R -3116517.82 -1878696.16 -1637821.67 400000.00 T= 9068.15254237 K progress 5.76271186441 18 T -3103926.96 -1880960.26 -1622966.71 400000.00 T= 9018.30508475 K progress 6.10169491525 19 R -3107412.08 -1885888.52 -1621523.55 400000.00 T= 8818.91525424 K progress 6.4406779661 20 T -3092416.13 -1926507.68 -1665908.45 500000.00 T= 8220.74576271 K progress 6.77966101695 21 T -3128602.54 -1934952.52 -1693650.02 500000.00 T= 7722.27118644 K progress 7.1186440678 22 R -3134313.03 -1977359.74 -1756953.29 600000.00 T= 7473.03389831 K progress 7.45762711864 23 R -3120413.84 -1975095.53 -1745318.31 600000.00 T= 5678.52542373 K progress 7.79661016949 24 R -3137851.30 -1990427.03 -1747424.27 600000.00 T= 4980.66101695 K progress 8.13559322034 25 R -3137883.17 -1993161.89 -1744721.28 600000.00 T= 4482.18644068 K progress 8.47457627119 26 R -3128053.76 -1976282.33 -1751771.44 600000.00 T= 4282.79661017 K progress 8.81355932203 27 R -3128466.26 -1969980.09 -1758486.18 600000.00 T= 3834.16949153 K progress 9.15254237288 28 R -3156313.14 -1987379.64 -1768933.50 600000.00 T= 3036.61016949 K progress 9.49152542373 29 T -3145315.72 -1853448.76 -1591866.96 300000.00 T= 2587.98305085 K progress 9.83050847458 Save no big msg save short traj msg save best.pdb msg save plot e_step.png