start - parameters: File name /home/rpdock/web/media/jobs/bf48c7c5-9cc0-469b-8b34-dae41246421d//ref_struc/prot-na_79/prot-na_79.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/bf48c7c5-9cc0-469b-8b34-dae41246421d//ref_struc/prot-na_79/prot-na_79.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen 0 - 264150.73 -507645.59 -148203.68 920000.00 1 R 514913.74 -577345.51 -147740.76 1240000.00 T= 14850.4576271 K progress 0.338983050847 2 T 350615.38 -570554.33 -158830.29 1080000.00 T= 14800.6101695 K progress 0.677966101695 3 T 636671.38 -537672.52 -145656.10 1320000.00 T= 14401.8305085 K progress 1.01694915254 4 T 306913.45 -562014.44 -171072.11 1040000.00 T= 14351.9830508 K progress 1.35593220339 5 T 339340.93 -549809.96 -150849.11 1040000.00 T= 14302.1355932 K progress 1.69491525424 6 T 431881.31 -509801.13 -138317.56 1080000.00 T= 14202.440678 K progress 2.03389830508 7 T 439605.71 -599528.90 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1240000.00 T= 13205.4915254 K progress 6.10169491525 19 R 616459.24 -478227.79 -145312.96 1240000.00 T= 13155.6440678 K progress 6.4406779661 20 R 449873.04 -526668.59 -143458.37 1120000.00 T= 13105.7966102 K progress 6.77966101695 21 T 227506.03 -544575.39 -147918.58 920000.00 T= 13055.9491525 K progress 7.1186440678 22 T -26141.40 -555699.91 -150441.49 680000.00 T= 12956.2542373 K progress 7.45762711864 23 T -91617.33 -557297.17 -134320.16 600000.00 T= 12856.559322 K progress 7.79661016949 24 R -91617.33 -557297.17 -134320.16 600000.00 T= 12657.1694915 K progress 8.13559322034 25 T -26587.58 -654097.29 -172490.29 800000.00 T= 12607.3220339 K progress 8.47457627119 26 T 125779.05 -542813.66 -131407.29 800000.00 T= 11759.9152542 K progress 8.81355932203 27 R 88771.26 -603267.77 -147960.96 840000.00 T= 11660.220339 K progress 9.15254237288 28 T 139676.78 -619905.67 -160417.55 920000.00 T= 11560.5254237 K progress 9.49152542373 29 T 111170.03 -563122.22 -125707.75 800000.00 T= 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13.5593220339 41 T 7922.66 -609209.55 -142867.78 760000.00 T= 10314.3389831 K progress 13.8983050847 42 R -11077.31 -599176.91 -131900.40 720000.00 T= 10264.4915254 K progress 14.2372881356 43 R 11119.24 -604534.67 -144346.08 760000.00 T= 9516.77966102 K progress 14.5762711864 44 T -89821.98 -569732.71 -160089.27 640000.00 T= 9417.08474576 K progress 14.9152542373 45 R -33019.49 -562806.83 -150212.66 680000.00 T= 9367.23728814 K progress 15.2542372881 46 R 195389.90 -533021.80 -151588.30 880000.00 T= 9217.69491525 K progress 15.593220339 47 R -87449.64 -566600.63 -160849.01 640000.00 T= 9167.84745763 K progress 15.9322033898 48 R 44766.41 -535039.31 -140194.28 720000.00 T= 9068.15254237 K progress 16.2711864407 49 T 95706.74 -526166.76 -138126.49 760000.00 T= 9018.30508475 K progress 16.6101694915 50 R 37296.23 -538868.25 -143835.52 720000.00 T= 8669.37288136 K progress 16.9491525424 51 T 11214.54 -506699.69 -162085.77 680000.00 T= 8420.13559322 K progress 17.2881355932 52 T 16751.82 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600000.00 T= 5927.76271186 K progress 21.3559322034 64 R -107854.60 -564028.22 -143826.38 600000.00 T= 5678.52542373 K progress 21.6949152542 65 R -105249.34 -561593.70 -143655.64 600000.00 T= 5528.98305085 K progress 22.0338983051 66 T -130396.54 -588544.82 -141851.72 600000.00 T= 5479.13559322 K progress 22.3728813559 67 R -63709.75 -571111.34 -132598.41 640000.00 T= 5379.44067797 K progress 22.7118644068 68 T -55039.64 -552704.30 -142335.34 640000.00 T= 5329.59322034 K progress 23.0508474576 69 R -37032.63 -525541.39 -151491.24 640000.00 T= 5080.3559322 K progress 23.3898305085 70 T -61389.32 -507095.83 -154293.49 600000.00 T= 4930.81355932 K progress 23.7288135593 71 R 40444.52 -492711.55 -146843.93 680000.00 T= 4831.11864407 K progress 24.0677966102 72 T 17728.49 -552949.57 -149321.94 720000.00 T= 4781.27118644 K progress 24.406779661 73 R 21647.01 -549046.75 -149306.24 720000.00 T= 4432.33898305 K progress 24.7457627119 74 T -36165.74 -549200.74 -126965.00 640000.00 T= 4382.49152542 K progress 25.0847457627 75 R -41136.71 -556046.26 -125090.45 640000.00 T= 4133.25423729 K progress 25.4237288136 76 T -40867.52 -533296.27 -147571.24 640000.00 T= 4083.40677966 K progress 25.7627118644 77 T -2061.94 -551464.05 -130597.89 680000.00 T= 3983.71186441 K progress 26.1016949153 78 R -976.40 -548356.05 -132620.35 680000.00 T= 3884.01694915 K progress 26.4406779661 79 T 40208.85 -571840.60 -147950.56 760000.00 T= 3684.62711864 K progress 26.7796610169 80 R -60595.78 -553582.31 -147013.47 640000.00 T= 3535.08474576 K progress 27.1186440678 81 R -57979.69 -550841.66 -147138.03 640000.00 T= 3385.54237288 K progress 27.4576271186 82 T -80604.80 -518665.72 -121939.08 560000.00 T= 2637.83050847 K progress 27.7966101695 83 R -79974.00 -522038.69 -117935.31 560000.00 T= 2338.74576271 K progress 28.1355932203 84 T -80731.07 -494826.56 -145904.51 560000.00 T= 2288.89830508 K progress 28.4745762712 85 R -115426.19 -518501.25 -156924.95 560000.00 T= 2089.50847458 K progress 28.813559322 86 R -90504.63 -502854.88 -147649.75 560000.00 T= 1690.72881356 K progress 29.1525423729 87 R -89582.71 -500506.35 -149076.36 560000.00 T= 1391.6440678 K progress 29.4915254237 Save no big msg save short traj msg save best.pdb msg save plot e_step.png