start - parameters: File name /home/rpdock/web/media/jobs/85454ebf-9150-4ed5-96f9-8c0a422793d2//ref_struc/prot-na_19467/prot-na_19467.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/85454ebf-9150-4ed5-96f9-8c0a422793d2//ref_struc/prot-na_19467/prot-na_19467.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen 0 - 106411.99 -591265.40 -182322.62 880000.00 1 R -43640.53 -585740.06 -177900.47 720000.00 T= 14950.1525424 K progress 0.338983050847 2 R -48259.56 -587284.25 -180975.31 720000.00 T= 14750.7627119 K progress 0.677966101695 3 T 134649.17 -654801.90 -170548.92 960000.00 T= 14700.9152542 K progress 1.01694915254 4 T 64304.75 -664512.27 -191182.98 920000.00 T= 14451.6779661 K progress 1.35593220339 5 T -100809.05 -627338.33 -193470.73 720000.00 T= 14401.8305085 K progress 1.69491525424 6 T -27790.87 -535749.03 -172041.83 680000.00 T= 14252.2881356 K progress 2.03389830508 7 T -138940.93 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11261.440678 K progress 9.83050847458 30 T -15885.74 -444455.71 -131430.03 560000.00 T= 11211.5932203 K progress 10.1694915254 31 R -158684.37 -481521.38 -157162.99 480000.00 T= 11111.8983051 K progress 10.5084745763 32 T -218996.83 -547006.78 -191990.05 520000.00 T= 11062.0508475 K progress 10.8474576271 33 R -147380.23 -503101.83 -164278.40 520000.00 T= 10862.6610169 K progress 11.186440678 34 R -218649.65 -546659.60 -191990.05 520000.00 T= 10812.8135593 K progress 11.5254237288 35 R -212367.48 -543485.22 -188882.26 520000.00 T= 9716.16949153 K progress 11.8644067797 36 T -190227.51 -509611.87 -160615.65 480000.00 T= 9566.62711864 K progress 12.2033898305 37 R -131521.72 -534164.21 -157357.51 560000.00 T= 9516.77966102 K progress 12.5423728814 38 T -68643.90 -685829.88 -182814.01 800000.00 T= 9367.23728814 K progress 12.8813559322 39 R -64562.94 -657864.89 -166698.05 760000.00 T= 9317.38983051 K progress 13.2203389831 40 R -70600.50 -689273.35 -181327.15 800000.00 T= 9267.54237288 K progress 13.5593220339 41 T -90316.11 -784821.26 -225494.85 920000.00 T= 9118.0 K progress 13.8983050847 42 T -105648.09 -717809.08 -187839.01 800000.00 T= 8420.13559322 K progress 14.2372881356 43 T -249885.85 -627253.94 -182631.91 560000.00 T= 8370.28813559 K progress 14.5762711864 44 T -233688.30 -684558.45 -189129.84 640000.00 T= 7871.81355932 K progress 14.9152542373 45 R -240039.50 -685686.01 -194353.48 640000.00 T= 7622.57627119 K progress 15.2542372881 46 T -69102.16 -678509.96 -190592.20 800000.00 T= 7373.33898305 K progress 15.593220339 47 R -226302.82 -673028.44 -193274.39 640000.00 T= 7223.79661017 K progress 15.9322033898 48 R -174176.60 -771642.63 -202533.98 800000.00 T= 7024.40677966 K progress 16.2711864407 49 T -178188.27 -767670.66 -210517.62 800000.00 T= 6974.55932203 K progress 16.6101694915 50 T -286964.69 -827881.24 -219083.45 760000.00 T= 6575.77966102 K progress 16.9491525424 51 T -196910.06 -696984.84 -179925.22 680000.00 T= 6276.69491525 K progress 17.2881355932 52 R -268045.22 -719731.54 -188313.68 640000.00 T= 5977.61016949 K progress 17.6271186441 53 R -262424.92 -711699.55 -190725.37 640000.00 T= 5828.06779661 K progress 17.9661016949 54 T -185591.98 -776873.29 -208718.70 800000.00 T= 5728.37288136 K progress 18.3050847458 55 R -172164.80 -763903.76 -208261.04 800000.00 T= 5678.52542373 K progress 18.6440677966 56 R -176059.51 -736699.64 -199359.86 760000.00 T= 5578.83050847 K progress 18.9830508475 57 R -226714.78 -644934.70 -181780.08 600000.00 T= 5528.98305085 K progress 19.3220338983 58 R -226714.78 -644934.70 -181780.08 600000.00 T= 5329.59322034 K progress 19.6610169492 59 R -216406.00 -641357.01 -175049.00 600000.00 T= 4631.72881356 K progress 20.0 60 T -300849.65 -695115.07 -205734.58 600000.00 T= 4432.33898305 K progress 20.3389830508 61 T -161387.21 -743194.17 -218193.05 800000.00 T= 4382.49152542 K progress 20.6779661017 62 R -155923.25 -739104.81 -216818.43 800000.00 T= 4332.6440678 K progress 21.0169491525 63 R -221972.42 -722515.32 -179457.10 680000.00 T= 4183.10169492 K progress 21.3559322034 64 R -210138.40 -712506.81 -177631.60 680000.00 T= 3933.86440678 K progress 21.6949152542 65 T -232629.37 -789721.62 -202907.75 760000.00 T= 3784.3220339 K progress 22.0338983051 66 R -231981.61 -792542.47 -199439.14 760000.00 T= 3535.08474576 K progress 22.3728813559 67 R -258425.85 -807503.22 -210922.63 760000.00 T= 3036.61016949 K progress 22.7118644068 68 R -271882.29 -816987.15 -214895.14 760000.00 T= 2986.76271186 K progress 23.0508474576 69 R -237976.11 -785193.94 -212782.17 760000.00 T= 2887.06779661 K progress 23.3898305085 70 R -213259.57 -766062.86 -207196.71 760000.00 T= 2837.22033898 K progress 23.7288135593 71 T -183371.05 -642644.26 -180726.79 640000.00 T= 2737.52542373 K progress 24.0677966102 72 R -239833.63 -760142.61 -199691.02 720000.00 T= 2637.83050847 K progress 24.406779661 73 R -238271.02 -757192.43 -201078.59 720000.00 T= 2587.98305085 K progress 24.7457627119 74 R -162494.12 -665874.79 -176619.33 680000.00 T= 2488.28813559 K progress 25.0847457627 75 R -234477.74 -753399.14 -201078.59 720000.00 T= 2438.44067797 K progress 25.4237288136 76 T -256587.33 -712720.47 -183866.86 640000.00 T= 2288.89830508 K progress 25.7627118644 77 R -271261.08 -689146.76 -182114.32 600000.00 T= 1790.42372881 K progress 26.1016949153 78 R -295189.35 -711415.36 -183773.99 600000.00 T= 1640.88135593 K progress 26.4406779661 Save no big msg save short traj msg save best.pdb msg save plot e_step.png