start - parameters: File name /home/rpdock/web/media/jobs/9af8942e-5c0d-4581-a9a4-b854422d5dfe//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/9af8942e-5c0d-4581-a9a4-b854422d5dfe//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 T -2428045.79 -1785119.43 -1442926.36 800000.00 T= 15000.0 K progress 0.338983050847 2 R -2440998.03 -1791526.18 -1449471.85 800000.00 T= 14800.6101695 K progress 0.677966101695 3 R -2634240.61 -1845551.13 -1588689.48 800000.00 T= 14700.9152542 K progress 1.01694915254 4 T -2296129.30 -1693639.16 -1402490.14 800000.00 T= 14501.5254237 K progress 1.35593220339 5 R -2482969.17 -1740084.82 -1442884.35 700000.00 T= 14451.6779661 K progress 1.69491525424 6 T -2578689.28 -1806266.08 -1572423.20 800000.00 T= 14202.440678 K progress 2.03389830508 7 T -2830425.42 -1751433.16 -1478992.26 400000.00 T= 14102.7457627 K progress 2.37288135593 8 R -2691293.14 -1719144.50 -1472148.64 500000.00 T= 14003.0508475 K progress 2.71186440678 9 T -3132719.97 -1774539.27 -1558180.70 200000.00 T= 13953.2033898 K progress 3.05084745763 10 T -3079943.17 -1696416.29 -1383526.88 0.00 T= 13903.3559322 K progress 3.38983050847 11 T -2999393.56 -1679215.03 -1420178.53 100000.00 T= 13654.1186441 K progress 3.72881355932 12 R -3254013.16 -1822167.41 -1531845.75 100000.00 T= 13604.2711864 K progress 4.06779661017 13 R -3225580.84 -1797289.43 -1528291.41 100000.00 T= 13454.7288136 K progress 4.40677966102 14 T -3092213.73 -1680149.09 -1412064.64 0.00 T= 13355.0338983 K progress 4.74576271186 15 T -2942946.45 -1687800.67 -1455145.78 200000.00 T= 12856.559322 K progress 5.08474576271 16 R -3005812.40 -1671239.76 -1434572.64 100000.00 T= 12806.7118644 K progress 5.42372881356 17 T -3035650.33 -1841678.78 -1593971.55 400000.00 T= 12657.1694915 K progress 5.76271186441 18 R -2905705.09 -1826674.55 -1579030.53 500000.00 T= 12607.3220339 K progress 6.10169491525 19 R -3073884.85 -1869108.76 -1604776.09 400000.00 T= 12108.8474576 K progress 6.4406779661 20 R -3140524.50 -1904216.48 -1636308.02 400000.00 T= 11959.3050847 K progress 6.77966101695 21 R -3102965.28 -1883998.32 -1618966.97 400000.00 T= 11909.4576271 K progress 7.1186440678 22 R -3105140.95 -1868616.05 -1636524.90 400000.00 T= 11859.6101695 K progress 7.45762711864 23 T -3058472.64 -1711559.44 -1446913.20 100000.00 T= 11261.440678 K progress 7.79661016949 24 R -3062676.80 -1710451.67 -1452225.13 100000.00 T= 11211.5932203 K progress 8.13559322034 25 R -3079905.31 -1716251.28 -1463654.03 100000.00 T= 11161.7457627 K progress 8.47457627119 26 R -3092367.05 -1729217.86 -1463149.19 100000.00 T= 10713.1186441 K progress 8.81355932203 27 T -3161152.99 -1750318.24 -1610834.75 200000.00 T= 10414.0338983 K progress 9.15254237288 28 T -3188824.15 -1771113.61 -1517710.55 100000.00 T= 10364.1864407 K progress 9.49152542373 29 R -3090525.85 -1716850.10 -1473675.75 100000.00 T= 10264.4915254 K progress 9.83050847458 30 T -3026473.74 -1722286.18 -1504187.56 200000.00 T= 10114.9491525 K progress 10.1694915254 31 T -3142413.58 -1777105.80 -1565307.77 200000.00 T= 9965.40677966 K progress 10.5084745763 32 T -3128418.27 -1811511.67 -1516906.61 200000.00 T= 9865.71186441 K progress 10.8474576271 33 R -3112269.76 -1791269.52 -1521000.24 200000.00 T= 9666.3220339 K progress 11.186440678 34 R -3175338.91 -1824628.00 -1550710.91 200000.00 T= 9566.62711864 K progress 11.5254237288 35 R -3253380.79 -1815841.01 -1537539.77 100000.00 T= 9417.08474576 K progress 11.8644067797 36 T -3224870.32 -1897902.56 -1626967.76 300000.00 T= 8968.45762712 K progress 12.2033898305 37 T -3211982.86 -1789438.85 -1622544.00 200000.00 T= 8818.91525424 K progress 12.5423728814 38 R -3211660.68 -1784374.74 -1627285.93 200000.00 T= 8519.83050847 K progress 12.8813559322 39 R -3210151.33 -1788657.49 -1621493.84 200000.00 T= 8420.13559322 K progress 13.2203389831 40 T -3158975.12 -1766188.33 -1492786.79 100000.00 T= 7971.50847458 K progress 13.5593220339 41 R -3152502.17 -1767167.65 -1485334.52 100000.00 T= 7821.96610169 K progress 13.8983050847 42 R -3173206.87 -1772075.25 -1501131.63 100000.00 T= 7672.42372881 K progress 14.2372881356 43 R -3182031.36 -1774872.72 -1507158.63 100000.00 T= 7622.57627119 K progress 14.5762711864 44 T -3166223.49 -1771253.86 -1494969.62 100000.00 T= 7373.33898305 K progress 14.9152542373 45 R -3168592.68 -1773119.24 -1495473.44 100000.00 T= 7273.6440678 K progress 15.2542372881 46 R -3272656.86 -1779548.24 -1493108.61 0.00 T= 7173.94915254 K progress 15.593220339 47 T -3448730.68 -1907161.32 -1641569.36 100000.00 T= 6924.71186441 K progress 15.9322033898 48 R -3454772.43 -1922131.39 -1632641.05 100000.00 T= 6874.86440678 K progress 16.2711864407 49 R -3479410.00 -1925841.57 -1653568.43 100000.00 T= 6525.93220339 K progress 16.6101694915 50 R -3471312.05 -1922802.17 -1648509.88 100000.00 T= 6127.15254237 K progress 16.9491525424 51 R -3490369.05 -1923955.89 -1666413.15 100000.00 T= 5828.06779661 K progress 17.2881355932 52 R -3477831.89 -1919713.50 -1658118.39 100000.00 T= 4731.42372881 K progress 17.6271186441 53 R -3618755.05 -1949580.69 -1669174.36 0.00 T= 4382.49152542 K progress 17.9661016949 54 R -3619980.77 -1949677.11 -1670303.67 0.00 T= 1591.03389831 K progress 18.3050847458 Save no big msg save short traj msg save best.pdb msg save plot e_step.png