start - parameters: File name /home/rpdock/web/media/jobs/9af8942e-5c0d-4581-a9a4-b854422d5dfe//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/9af8942e-5c0d-4581-a9a4-b854422d5dfe//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 T -2824597.85 -1805350.56 -1519247.29 500000.00 T= 15000.0 K progress 0.338983050847 2 T -2554454.95 -1655037.28 -1399417.67 500000.00 T= 14950.1525424 K progress 0.677966101695 3 T -2718047.94 -1687543.00 -1430504.94 400000.00 T= 14900.3050847 K progress 1.01694915254 4 R -2728245.96 -1691615.40 -1436630.56 400000.00 T= 14850.4576271 K progress 1.35593220339 5 T -2785571.04 -1776899.09 -1508671.95 500000.00 T= 14750.7627119 K progress 1.69491525424 6 R -2780964.20 -1777304.08 -1503660.12 500000.00 T= 14651.0677966 K progress 2.03389830508 7 R -2758843.65 -1684417.48 -1474426.16 400000.00 T= 14601.220339 K progress 2.37288135593 8 R -2705095.42 -1701510.96 -1403584.46 400000.00 T= 14401.8305085 K progress 2.71186440678 9 R -2735880.94 -1740939.93 -1394941.00 400000.00 T= 14351.9830508 K progress 3.05084745763 10 T -2632934.54 -1604898.38 -1328036.16 300000.00 T= 14302.1355932 K progress 3.38983050847 11 T -2261790.94 -1476569.44 -1285221.50 500000.00 T= 14052.8983051 K progress 3.72881355932 12 T -2458279.84 -1524798.32 -1233481.53 300000.00 T= 14003.0508475 K progress 4.06779661017 13 R -2526602.60 -1585048.14 -1341554.46 400000.00 T= 13953.2033898 K progress 4.40677966102 14 R -2744304.85 -1610110.16 -1334194.69 200000.00 T= 13903.3559322 K progress 4.74576271186 15 R -2746507.81 -1615249.24 -1331258.56 200000.00 T= 13803.6610169 K progress 5.08474576271 16 R -2723972.51 -1601510.58 -1322461.93 200000.00 T= 13703.9661017 K progress 5.42372881356 17 T -2740348.36 -1652655.97 -1487692.39 400000.00 T= 13654.1186441 K progress 5.76271186441 18 R -2750279.66 -1665828.19 -1484451.46 400000.00 T= 13404.8813559 K progress 6.10169491525 19 T -2439105.85 -1478293.51 -1260812.34 300000.00 T= 13355.0338983 K progress 6.4406779661 20 T -2609124.87 -1601191.96 -1407932.90 400000.00 T= 13305.1864407 K progress 6.77966101695 21 T -2560879.57 -1577546.87 -1383332.70 400000.00 T= 13155.6440678 K progress 7.1186440678 22 R -2592375.69 -1589778.28 -1402597.42 400000.00 T= 13055.9491525 K progress 7.45762711864 23 T -2458827.55 -1487768.95 -1271058.60 300000.00 T= 13006.1016949 K progress 7.79661016949 24 R -2521997.44 -1510320.92 -1311676.52 300000.00 T= 12856.559322 K progress 8.13559322034 25 R -2459441.80 -1487157.04 -1272284.75 300000.00 T= 12557.4745763 K progress 8.47457627119 26 R -2461123.00 -1494606.15 -1166516.85 200000.00 T= 12407.9322034 K progress 8.81355932203 27 T -2909647.01 -1712910.56 -1396736.45 200000.00 T= 12308.2372881 K progress 9.15254237288 28 R -2701573.46 -1606544.91 -1395028.56 300000.00 T= 11909.4576271 K progress 9.49152542373 29 R -2666244.80 -1663608.66 -1402636.14 400000.00 T= 11859.6101695 K progress 9.83050847458 30 R -2638307.31 -1646817.37 -1391489.94 400000.00 T= 11809.7627119 K progress 10.1694915254 31 R -2667181.52 -1661807.05 -1405374.47 400000.00 T= 11361.1355932 K progress 10.5084745763 32 R -2667181.52 -1661807.05 -1405374.47 400000.00 T= 11311.2881356 K progress 10.8474576271 33 T -2729532.62 -1745841.11 -1483691.51 500000.00 T= 11211.5932203 K progress 11.186440678 34 R -2756477.32 -1754316.66 -1502160.66 500000.00 T= 11111.8983051 K progress 11.5254237288 35 R -2744019.08 -1731370.48 -1412648.59 400000.00 T= 10912.5084746 K progress 11.8644067797 36 R -2566862.45 -1666433.85 -1400428.60 500000.00 T= 10713.1186441 K progress 12.2033898305 37 R -3248865.60 -1869668.28 -1679197.32 300000.00 T= 10663.2711864 K progress 12.5423728814 38 R -3235078.81 -1853088.43 -1681990.38 300000.00 T= 10613.4237288 K progress 12.8813559322 39 R -3229238.27 -1847106.00 -1682132.27 300000.00 T= 10414.0338983 K progress 13.2203389831 40 R -3089494.28 -1847004.01 -1642490.27 400000.00 T= 10214.6440678 K progress 13.5593220339 41 R -3092191.59 -1842636.93 -1649554.67 400000.00 T= 9566.62711864 K progress 13.8983050847 42 R -3081294.84 -1831144.19 -1650150.65 400000.00 T= 9516.77966102 K progress 14.2372881356 43 R -3197580.64 -1857166.32 -1640414.32 300000.00 T= 8868.76271186 K progress 14.5762711864 44 T -3149837.75 -1933790.80 -1616046.95 400000.00 T= 8170.89830508 K progress 14.9152542373 45 R -3085827.18 -1891217.01 -1594610.17 400000.00 T= 6725.3220339 K progress 15.2542372881 46 R -3080226.49 -1896445.00 -1683781.48 500000.00 T= 5578.83050847 K progress 15.593220339 47 R -3081491.81 -1897305.23 -1684186.58 500000.00 T= 5528.98305085 K progress 15.9322033898 48 R -3105112.89 -1913006.40 -1692106.49 500000.00 T= 4831.11864407 K progress 16.2711864407 49 T -3154769.15 -1933085.39 -1721683.76 500000.00 T= 4781.27118644 K progress 16.6101694915 50 R -3154342.07 -1931323.47 -1723018.60 500000.00 T= 4382.49152542 K progress 16.9491525424 51 R -3153037.21 -1935845.47 -1717191.73 500000.00 T= 4332.6440678 K progress 17.2881355932 52 R -3153984.92 -1940749.54 -1713235.38 500000.00 T= 4232.94915254 K progress 17.6271186441 53 T -3074219.74 -1935403.30 -1638816.44 500000.00 T= 4083.40677966 K progress 17.9661016949 54 R -3065749.97 -1928439.67 -1637310.30 500000.00 T= 4033.55932203 K progress 18.3050847458 55 R -3090068.15 -1942249.27 -1647818.88 500000.00 T= 3884.01694915 K progress 18.6440677966 56 R -3079965.38 -1937177.64 -1642787.75 500000.00 T= 3485.23728814 K progress 18.9830508475 57 R -3069960.71 -1932117.27 -1637843.43 500000.00 T= 3285.84745763 K progress 19.3220338983 58 R -3107600.14 -1945819.82 -1661780.33 500000.00 T= 3186.15254237 K progress 19.6610169492 59 R -3118051.22 -1955210.21 -1662841.01 500000.00 T= 3136.30508475 K progress 20.0 60 R -3122948.39 -1963145.54 -1659802.85 500000.00 T= 2837.22033898 K progress 20.3389830508 61 T -3157257.80 -1992738.76 -1664519.04 500000.00 T= 2538.13559322 K progress 20.6779661017 62 R -3258377.31 -1984558.00 -1673819.32 400000.00 T= 1690.72881356 K progress 21.0169491525 63 T -3336375.58 -1982582.08 -1653793.50 300000.00 T= 793.474576271 K progress 21.3559322034 Save no big msg save short traj msg save best.pdb msg save plot e_step.png