start - parameters: File name /home/rpdock/web/media/jobs/bf48c7c5-9cc0-469b-8b34-dae41246421d//ref_struc/prot-na_28/prot-na_28.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_28/prot-na_28.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen 0 - 263075.46 -725907.16 -171017.38 1160000.00 1 T 28770.96 -763355.64 -207873.40 1000000.00 T= 15000.0 K progress 0.338983050847 2 T -98683.43 -792288.73 -186394.70 880000.00 T= 14950.1525424 K progress 0.677966101695 3 T -136135.10 -832256.68 -183878.42 880000.00 T= 14850.4576271 K progress 1.01694915254 4 R -237800.49 -821577.79 -216222.70 800000.00 T= 14700.9152542 K progress 1.35593220339 5 T -326852.55 -730772.58 -196079.97 600000.00 T= 14601.220339 K progress 1.69491525424 6 T -294076.81 -736824.39 -197252.42 640000.00 T= 14551.3728814 K progress 2.03389830508 7 R -402343.81 -766578.10 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480000.00 T= 13454.7288136 K progress 6.10169491525 19 R -238041.56 -641993.62 -156047.94 560000.00 T= 13355.0338983 K progress 6.4406779661 20 R -283981.31 -648684.06 -155297.25 520000.00 T= 13055.9491525 K progress 6.77966101695 21 R -339732.87 -649739.27 -169993.60 480000.00 T= 13006.1016949 K progress 7.1186440678 22 T -325212.28 -669501.29 -175711.00 520000.00 T= 12906.4067797 K progress 7.45762711864 23 T -174587.96 -661165.43 -193422.53 680000.00 T= 12856.559322 K progress 7.79661016949 24 R -418252.50 -660222.38 -198030.13 440000.00 T= 12756.8644068 K progress 8.13559322034 25 R -418134.59 -662280.96 -195853.63 440000.00 T= 12657.1694915 K progress 8.47457627119 26 R -281708.02 -685022.16 -196685.86 600000.00 T= 12507.6271186 K progress 8.81355932203 27 T -279352.27 -685474.52 -193877.75 600000.00 T= 12457.779661 K progress 9.15254237288 28 T -247591.73 -656586.65 -191005.08 600000.00 T= 12407.9322034 K progress 9.49152542373 29 R -383317.05 -639833.18 -183483.87 440000.00 T= 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progress 13.5593220339 41 R -383854.90 -711411.77 -192443.13 520000.00 T= 10812.8135593 K progress 13.8983050847 42 R -374472.20 -700740.37 -193731.83 520000.00 T= 10762.9661017 K progress 14.2372881356 43 T -205396.68 -661572.81 -183823.87 640000.00 T= 10663.2711864 K progress 14.5762711864 44 R -210044.85 -662786.13 -187258.73 640000.00 T= 10563.5762712 K progress 14.9152542373 45 T -399135.31 -726330.94 -192804.36 520000.00 T= 10513.7288136 K progress 15.2542372881 46 R -391444.82 -718209.90 -193234.93 520000.00 T= 10264.4915254 K progress 15.593220339 47 R 11720.93 -639346.15 -188932.91 840000.00 T= 10214.6440678 K progress 15.9322033898 48 T -63430.29 -727180.07 -216250.21 880000.00 T= 10164.7966102 K progress 16.2711864407 49 R -93830.48 -705181.51 -188648.97 800000.00 T= 10114.9491525 K progress 16.6101694915 50 T -49946.04 -645456.16 -164489.88 760000.00 T= 9865.71186441 K progress 16.9491525424 51 T -153382.18 -654393.02 -178989.16 680000.00 T= 9815.86440678 K progress 17.2881355932 52 T -242774.10 -613265.18 -149508.92 520000.00 T= 9716.16949153 K progress 17.6271186441 53 R -207872.93 -649137.00 -158735.93 600000.00 T= 9616.47457627 K progress 17.9661016949 54 R -235202.28 -601367.56 -153834.72 520000.00 T= 9566.62711864 K progress 18.3050847458 55 R -258828.20 -623466.76 -155361.44 520000.00 T= 9466.93220339 K progress 18.6440677966 56 T -275804.07 -609587.89 -146216.18 480000.00 T= 9317.38983051 K progress 18.9830508475 57 T -492110.89 -572594.81 -159516.08 240000.00 T= 9267.54237288 K progress 19.3220338983 58 R -540731.20 -574209.17 -166522.03 200000.00 T= 9217.69491525 K progress 19.6610169492 59 R -529857.84 -577888.09 -151969.75 200000.00 T= 9018.30508475 K progress 20.0 60 T -560135.54 -523476.33 -156659.21 120000.00 T= 8918.61016949 K progress 20.3389830508 61 R -577448.01 -539937.83 -157510.18 120000.00 T= 8818.91525424 K progress 20.6779661017 62 T -519194.60 -536034.37 -143160.23 160000.00 T= 8669.37288136 K progress 21.0169491525 63 R 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-672432.04 -179249.33 160000.00 T= 7323.49152542 K progress 25.0847457627 75 R -563443.79 -593464.84 -169978.95 200000.00 T= 7223.79661017 K progress 25.4237288136 76 T -574952.06 -568043.08 -166908.98 160000.00 T= 7173.94915254 K progress 25.7627118644 77 T -526203.45 -519848.18 -166355.27 160000.00 T= 7124.10169492 K progress 26.1016949153 78 T -505011.04 -462023.06 -162987.97 120000.00 T= 7024.40677966 K progress 26.4406779661 79 T -533883.28 -484595.54 -169287.74 120000.00 T= 6825.01694915 K progress 26.7796610169 80 T -536285.48 -462179.88 -154105.60 80000.00 T= 6775.16949153 K progress 27.1186440678 81 T -479838.38 -389091.49 -130746.89 40000.00 T= 6725.3220339 K progress 27.4576271186 82 R -398825.39 -360661.86 -118163.54 80000.00 T= 6625.62711864 K progress 27.7966101695 83 R -482780.52 -388514.94 -134265.58 40000.00 T= 6575.77966102 K progress 28.1355932203 84 R -479895.83 -385951.97 -133943.86 40000.00 T= 6476.08474576 K progress 28.4745762712 85 R -476322.99 -383348.72 -132974.27 40000.00 T= 6426.23728814 K progress 28.813559322 86 R -465987.84 -412471.19 -133516.65 80000.00 T= 6326.54237288 K progress 29.1525423729 87 R -482828.48 -388514.94 -134313.55 40000.00 T= 6276.69491525 K progress 29.4915254237 88 R -479498.99 -385045.24 -134453.75 40000.00 T= 6077.30508475 K progress 29.8305084746 89 R -476322.99 -383348.72 -132974.27 40000.00 T= 6027.45762712 K progress 30.1694915254 90 R -483961.87 -390781.53 -133180.34 40000.00 T= 5927.76271186 K progress 30.5084745763 91 R -413593.21 -405020.54 -128572.68 120000.00 T= 5877.91525424 K progress 30.8474576271 92 R -490338.50 -398625.49 -131713.01 40000.00 T= 5778.22033898 K progress 31.186440678 93 R -426620.84 -379081.04 -127539.80 80000.00 T= 5528.98305085 K progress 31.5254237288 94 T -543642.81 -474336.47 -149306.34 80000.00 T= 5429.28813559 K progress 31.8644067797 95 R -539920.47 -471260.32 -148660.16 80000.00 T= 5379.44067797 K progress 32.2033898305 96 R -534288.25 -467303.50 -146984.75 80000.00 T= 5130.20338983 K progress 32.5423728814 97 R -554242.91 -483995.82 -150247.09 80000.00 T= 5030.50847458 K progress 32.8813559322 98 R -561303.94 -489556.23 -151747.71 80000.00 T= 4831.11864407 K progress 33.2203389831 99 R -563251.14 -490176.44 -153074.70 80000.00 T= 4731.42372881 K progress 33.5593220339 100 T -469706.13 -485651.76 -144054.36 160000.00 T= 4432.33898305 K progress 33.8983050847 101 T -575489.67 -493476.50 -162013.17 80000.00 T= 4382.49152542 K progress 34.2372881356 102 R -576384.14 -494370.97 -162013.17 80000.00 T= 4332.6440678 K progress 34.5762711864 103 T -566269.87 -495074.04 -151195.83 80000.00 T= 3485.23728814 K progress 34.9152542373 104 T -553951.19 -487536.49 -146414.71 80000.00 T= 3086.45762712 K progress 35.2542372881 105 T -582707.76 -510134.63 -152573.13 80000.00 T= 3036.61016949 K progress 35.593220339 106 T -574265.04 -526372.08 -167892.96 120000.00 T= 2936.91525424 K progress 35.9322033898 107 R -565472.97 -524005.37 -161467.60 120000.00 T= 2837.22033898 K progress 36.2711864407 108 R -540817.04 -507259.41 -153557.62 120000.00 T= 2787.37288136 K progress 36.6101694915 109 R -546490.08 -518283.61 -148206.47 120000.00 T= 2737.52542373 K progress 36.9491525424 110 R -525788.55 -489811.98 -155976.58 120000.00 T= 2687.6779661 K progress 37.2881355932 111 T -558686.35 -525686.39 -152999.96 120000.00 T= 2438.44067797 K progress 37.6271186441 112 T -552407.92 -542378.09 -170029.83 160000.00 T= 2189.20338983 K progress 37.9661016949 113 R -548445.48 -536879.76 -171565.72 160000.00 T= 2139.3559322 K progress 38.3050847458 114 T -545149.09 -510908.87 -154240.22 120000.00 T= 2089.50847458 K progress 38.6440677966 115 R -546120.06 -514283.23 -151836.84 120000.00 T= 643.93220339 K progress 38.9830508475 116 T -534892.37 -472648.11 -142244.26 80000.00 T= 494.389830509 K progress 39.3220338983 117 R -559203.83 -492566.71 -146637.13 80000.00 T= 344.847457627 K progress 39.6610169492 Save no big msg save short traj msg save best.pdb msg save plot e_step.png