start - parameters: File name /home/rpdock/web/media/jobs/85454ebf-9150-4ed5-96f9-8c0a422793d2//ref_struc/prot-na_5796/prot-na_5796.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_5796/prot-na_5796.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen 0 - -112688.13 -678109.79 -194578.33 760000.00 1 R -94690.47 -671193.28 -183497.19 760000.00 T= 15000.0 K progress 0.338983050847 2 T -115344.99 -648037.61 -187307.38 720000.00 T= 14850.4576271 K progress 0.677966101695 3 R -81522.04 -701092.84 -180429.20 800000.00 T= 14750.7627119 K progress 1.01694915254 4 R -182148.50 -741411.79 -200736.71 760000.00 T= 14700.9152542 K progress 1.35593220339 5 T -423665.09 -788255.99 -195409.09 560000.00 T= 14651.0677966 K progress 1.69491525424 6 R -587852.17 -749400.56 -198451.61 360000.00 T= 14601.220339 K progress 2.03389830508 7 T -254654.29 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640000.00 T= 12707.0169492 K progress 9.83050847458 30 R -312545.86 -741498.61 -211047.25 640000.00 T= 12657.1694915 K progress 10.1694915254 31 R -336047.37 -779694.76 -236352.60 680000.00 T= 12607.3220339 K progress 10.5084745763 32 T -356116.50 -773431.27 -222685.23 640000.00 T= 12557.4745763 K progress 10.8474576271 33 T -278168.39 -743231.48 -214936.91 680000.00 T= 12457.779661 K progress 11.186440678 34 R -182076.78 -710349.17 -191727.62 720000.00 T= 12407.9322034 K progress 11.5254237288 35 R -175748.22 -707972.36 -187775.86 720000.00 T= 12358.0847458 K progress 11.8644067797 36 R -227620.48 -718940.75 -188679.73 680000.00 T= 12308.2372881 K progress 12.2033898305 37 R 115041.09 -765703.32 -199255.59 1080000.00 T= 12208.5423729 K progress 12.5423728814 38 T -17982.09 -802328.80 -215653.29 1000000.00 T= 12158.6949153 K progress 12.8813559322 39 T -177658.88 -851980.36 -245678.52 920000.00 T= 12108.8474576 K progress 13.2203389831 40 R -159839.71 -863182.01 -256657.70 960000.00 T= 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progress 17.2881355932 52 T -528886.84 -799891.14 -208995.69 480000.00 T= 10463.8813559 K progress 17.6271186441 53 R -523511.40 -794515.70 -208995.69 480000.00 T= 10414.0338983 K progress 17.9661016949 54 R -187577.57 -783816.92 -203760.65 800000.00 T= 10364.1864407 K progress 18.3050847458 55 R -299604.24 -848723.31 -250880.93 800000.00 T= 10314.3389831 K progress 18.6440677966 56 T -219007.06 -805492.33 -213514.73 800000.00 T= 10264.4915254 K progress 18.9830508475 57 R -344277.40 -791974.28 -232303.12 680000.00 T= 10214.6440678 K progress 19.3220338983 58 R -386064.75 -700786.51 -205278.23 520000.00 T= 10065.1016949 K progress 19.6610169492 59 R -501557.21 -671532.78 -190024.43 360000.00 T= 10015.2542373 K progress 20.0 60 R -406893.04 -697790.28 -189102.77 480000.00 T= 9965.40677966 K progress 20.3389830508 61 T -338689.38 -680385.00 -178304.38 520000.00 T= 9865.71186441 K progress 20.6779661017 62 T -443360.43 -694595.58 -188764.85 440000.00 T= 9815.86440678 K progress 21.0169491525 63 R -513048.21 -711573.15 -201475.06 400000.00 T= 9766.01694915 K progress 21.3559322034 64 R -547043.90 -711740.07 -195303.83 360000.00 T= 9716.16949153 K progress 21.6949152542 65 R -428712.80 -764485.53 -184227.27 520000.00 T= 9217.69491525 K progress 22.0338983051 66 R -418356.83 -755598.56 -182758.27 520000.00 T= 9118.0 K progress 22.3728813559 67 T -435553.86 -725231.06 -190322.79 480000.00 T= 9068.15254237 K progress 22.7118644068 68 R -459711.57 -718321.86 -181389.70 440000.00 T= 8719.22033898 K progress 23.0508474576 69 R -434737.30 -716345.41 -158391.89 440000.00 T= 8569.6779661 K progress 23.3898305085 70 R -438472.57 -720080.67 -158391.89 440000.00 T= 8469.98305085 K progress 23.7288135593 71 R -617653.21 -757385.50 -180267.71 320000.00 T= 8071.20338983 K progress 24.0677966102 72 R -288614.60 -707621.18 -180993.42 600000.00 T= 7971.50847458 K progress 24.406779661 73 R -328663.89 -712171.51 -176492.38 560000.00 T= 7772.11864407 K progress 24.7457627119 74 T 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-646595.05 -180856.98 160000.00 T= 5379.44067797 K progress 28.813559322 86 R -696636.97 -668530.57 -188106.40 160000.00 T= 5329.59322034 K progress 29.1525423729 87 R -697308.31 -669201.91 -188106.40 160000.00 T= 5030.50847458 K progress 29.4915254237 88 R -714533.03 -682374.91 -192158.13 160000.00 T= 4731.42372881 K progress 29.8305084746 89 R -651515.88 -660545.23 -190970.66 200000.00 T= 4681.57627119 K progress 30.1694915254 90 R -648484.10 -660421.54 -188062.55 200000.00 T= 4382.49152542 K progress 30.5084745763 91 T -590289.17 -617725.64 -172563.53 200000.00 T= 4232.94915254 K progress 30.8474576271 92 R -631313.94 -653708.76 -177605.18 200000.00 T= 4133.25423729 K progress 31.186440678 93 R -584885.99 -724016.37 -180869.62 320000.00 T= 3884.01694915 K progress 31.5254237288 94 T -692259.19 -672138.26 -180120.93 160000.00 T= 3834.16949153 K progress 31.8644067797 95 T -677166.06 -667651.56 -169514.51 160000.00 T= 3634.77966102 K progress 32.2033898305 96 R -580379.87 -617123.73 -163256.14 200000.00 T= 3485.23728814 K progress 32.5423728814 97 T -752465.46 -723908.70 -188556.76 160000.00 T= 3435.38983051 K progress 32.8813559322 98 T -768251.72 -731428.69 -196823.03 160000.00 T= 2986.76271186 K progress 33.2203389831 99 R -755837.69 -718363.94 -197473.75 160000.00 T= 2737.52542373 K progress 33.5593220339 100 R -764286.70 -726350.28 -197936.42 160000.00 T= 2438.44067797 K progress 33.8983050847 101 R -762752.55 -724816.13 -197936.42 160000.00 T= 2288.89830508 K progress 34.2372881356 102 R -775251.52 -737340.80 -197910.72 160000.00 T= 992.86440678 K progress 34.5762711864 Save no big msg save short traj msg save best.pdb msg save plot e_step.png