2021-05-07 22:57:36,451 INFO - start - parameters: File name /home/rpdock/web/media/jobs/74938e81-6d39-4a9b-8512-1d4d330749e5//ref_struc/prot-na_3525/prot-na_3525.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False 2021-05-07 22:57:38,244 INFO - step #1 R -230989.50 -696204.91 -214784.59 680000.00 T= 15000.00 K 2021-05-07 22:57:38,869 INFO - step #2 R -264940.25 -645442.92 -219497.33 600000.00 T= 14900.31 K 2021-05-07 22:57:39,631 INFO - step #3 R -129395.37 -656438.75 -232956.62 760000.00 T= 14800.61 K 2021-05-07 22:57:40,098 INFO - step #4 T -98993.88 -592457.80 -186536.08 680000.00 T= 14750.76 K 2021-05-07 22:57:41,040 INFO - step #5 R -151814.99 -602442.12 -189372.87 640000.00 T= 14501.53 K 2021-05-07 22:57:41,450 INFO - step #6 T -96544.53 -739858.71 -236685.83 880000.00 T= 14451.68 K 2021-05-07 22:57:41,930 INFO - step #7 R -31217.46 -722695.36 -228522.10 920000.00 T= 14351.98 K 2021-05-07 22:57:43,222 INFO - step #8 T -51726.93 -552543.99 -179182.94 680000.00 T= 14102.75 K 2021-05-07 22:57:43,530 INFO - 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save best.pdb 2021-05-07 22:59:01,741 INFO - save plot e_step.png 2021-05-07 22:59:02,442 INFO - done 2021-05-07 22:59:03,901 INFO - start - parameters: File name /home/rpdock/web/media/jobs/74938e81-6d39-4a9b-8512-1d4d330749e5//ref_struc/prot-na_3525/prot-na_3525.pdb Steps 295 Temp. start 15000.0 Temp. end 295.0 False 2021-05-07 22:59:05,225 INFO - step #1 R -130488.11 -655704.25 -234783.86 760000.00 T= 15000.00 K 2021-05-07 22:59:05,536 INFO - step #2 R 9516.31 -675379.51 -235104.18 920000.00 T= 14950.15 K 2021-05-07 22:59:06,023 INFO - step #3 T -86546.34 -807297.41 -239248.93 960000.00 T= 14850.46 K 2021-05-07 22:59:06,501 INFO - step #4 T 12078.64 -717596.49 -230324.87 960000.00 T= 14750.76 K 2021-05-07 22:59:07,054 INFO - step #5 T 41411.55 -685143.85 -233444.60 960000.00 T= 14700.92 K 2021-05-07 22:59:07,606 INFO - step #6 T -208050.72 -744196.46 -263854.26 800000.00 T= 14601.22 K 2021-05-07 22:59:08,117 INFO - step #7 R -42365.15 -753667.63 -248697.52 960000.00 T= 14501.53 K 2021-05-07 22:59:09,474 INFO - 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step #41 R -364067.68 -524938.14 -159129.53 320000.00 T= 11660.22 K 2021-05-07 22:59:28,161 INFO - step #42 T -491715.72 -526700.95 -165014.76 200000.00 T= 11460.83 K 2021-05-07 22:59:29,214 INFO - step #43 R -636783.68 -589477.08 -167306.60 120000.00 T= 11261.44 K 2021-05-07 22:59:31,182 INFO - step #44 T -589567.29 -539726.73 -169840.56 120000.00 T= 10812.81 K 2021-05-07 22:59:31,689 INFO - step #45 R -630384.74 -578862.35 -171522.39 120000.00 T= 10713.12 K 2021-05-07 22:59:32,163 INFO - step #46 R -630088.85 -604851.85 -185237.00 160000.00 T= 10663.27 K 2021-05-07 22:59:32,758 INFO - step #47 R -567335.65 -554368.41 -172967.24 160000.00 T= 10563.58 K 2021-05-07 22:59:33,082 INFO - step #48 R -571082.63 -562411.51 -168671.13 160000.00 T= 10513.73 K 2021-05-07 22:59:33,570 INFO - step #49 R -684650.51 -620218.81 -184431.70 120000.00 T= 10463.88 K 2021-05-07 22:59:34,181 INFO - step #50 R -628785.00 -575776.91 -173008.09 120000.00 T= 10314.34 K 2021-05-07 22:59:34,480 INFO - step #51 T -637083.64 -619853.79 -177229.85 160000.00 T= 10264.49 K 2021-05-07 22:59:35,843 INFO - step #52 T -563592.85 -517617.31 -165975.54 120000.00 T= 9965.41 K 2021-05-07 22:59:36,923 INFO - step #53 R -544560.60 -513187.61 -151372.99 120000.00 T= 9865.71 K 2021-05-07 22:59:37,222 INFO - step #54 R -544560.60 -513187.61 -151372.99 120000.00 T= 9815.86 K 2021-05-07 22:59:37,807 INFO - step #55 R -579390.85 -539599.75 -159791.09 120000.00 T= 9716.17 K 2021-05-07 22:59:38,103 INFO - step #56 R -507432.34 -507895.06 -159537.28 160000.00 T= 9666.32 K 2021-05-07 22:59:38,402 INFO - step #57 T -412108.38 -437218.22 -134890.16 160000.00 T= 9616.47 K 2021-05-07 22:59:39,145 INFO - step #58 T -409682.34 -431771.13 -137911.20 160000.00 T= 9516.78 K 2021-05-07 22:59:39,593 INFO - step #59 R -243111.71 -424126.14 -138985.57 320000.00 T= 9466.93 K 2021-05-07 22:59:39,882 INFO - step #60 R -234240.04 -421440.63 -132799.41 320000.00 T= 9417.08 K 2021-05-07 22:59:40,176 INFO - step #61 R -347118.95 -463048.91 -164070.04 280000.00 T= 9367.24 K 2021-05-07 22:59:40,595 INFO - step #62 T -444146.94 -524739.15 -159407.79 240000.00 T= 9317.39 K 2021-05-07 22:59:41,194 INFO - step #63 R -497898.73 -540133.10 -157765.63 200000.00 T= 9217.69 K 2021-05-07 22:59:42,860 INFO - step #64 T -485779.34 -460038.22 -145741.12 120000.00 T= 8769.07 K 2021-05-07 22:59:43,850 INFO - step #65 R -488571.56 -462600.04 -145971.52 120000.00 T= 8619.53 K 2021-05-07 22:59:44,462 INFO - step #66 T -482439.86 -485739.33 -156700.54 160000.00 T= 8519.83 K 2021-05-07 22:59:46,065 INFO - step #67 T -495663.63 -468557.46 -147106.17 120000.00 T= 8270.59 K 2021-05-07 22:59:47,547 INFO - step #68 R -497165.18 -468565.00 -148600.17 120000.00 T= 7971.51 K 2021-05-07 22:59:50,074 INFO - step #69 R -497186.04 -468565.00 -148621.03 120000.00 T= 7423.19 K 2021-05-07 22:59:50,368 INFO - step #70 R -492966.17 -465881.85 -147084.32 120000.00 T= 7373.34 K 2021-05-07 22:59:51,182 INFO - step #71 T -399954.67 -448536.64 -151418.03 200000.00 T= 7223.80 K 2021-05-07 22:59:51,478 INFO - step #72 R -390398.84 -438859.05 -151539.79 200000.00 T= 7173.95 K 2021-05-07 22:59:51,768 INFO - step #73 R -364505.20 -424574.62 -139930.59 200000.00 T= 7124.10 K 2021-05-07 22:59:52,060 INFO - step #74 R -336930.63 -407551.39 -129379.24 200000.00 T= 7074.25 K 2021-05-07 22:59:52,535 INFO - step #75 T -322515.47 -525685.78 -156829.70 360000.00 T= 7024.41 K 2021-05-07 22:59:52,829 INFO - step #76 R -422335.94 -501902.81 -160433.13 240000.00 T= 6974.56 K 2021-05-07 22:59:59,043 INFO - step #77 T -429385.45 -500783.19 -168602.25 240000.00 T= 5628.68 K 2021-05-07 22:59:59,846 INFO - step #78 R -412191.75 -487817.73 -164374.02 240000.00 T= 5528.98 K 2021-05-07 23:00:00,613 INFO - step #79 R -419411.34 -495024.61 -164386.73 240000.00 T= 5329.59 K 2021-05-07 23:00:01,219 INFO - step #80 R -484918.34 -519439.68 -165478.66 200000.00 T= 5180.05 K 2021-05-07 23:00:02,576 INFO - step #81 R -567893.84 -549809.38 -178084.46 160000.00 T= 4980.66 K 2021-05-07 23:00:03,063 INFO - step #82 R -407919.78 -548031.73 -179888.05 320000.00 T= 4930.81 K 2021-05-07 23:00:03,798 INFO - step #83 R -343307.45 -523502.49 -179804.95 360000.00 T= 4831.12 K 2021-05-07 23:00:05,318 INFO - step #84 R -572627.24 -553304.18 -179323.06 160000.00 T= 4731.42 K 2021-05-07 23:00:08,347 INFO - step #85 R -572484.95 -553304.18 -179180.77 160000.00 T= 4083.41 K 2021-05-07 23:00:11,653 INFO - step #86 T -557280.72 -545817.50 -171463.22 160000.00 T= 3335.69 K 2021-05-07 23:00:12,587 INFO - step #87 R -553914.97 -541784.52 -172130.45 160000.00 T= 3136.31 K 2021-05-07 23:00:13,429 INFO - step #88 R -588180.26 -550212.05 -197968.21 160000.00 T= 2936.92 K 2021-05-07 23:00:15,218 INFO - step #89 R -588504.22 -550405.84 -198098.37 160000.00 T= 2488.29 K 2021-05-07 23:00:19,867 INFO - step #90 T -644627.89 -571018.37 -193609.52 120000.00 T= 1242.10 K 2021-05-07 23:00:26,918 INFO - save short traj 2021-05-07 23:00:27,153 INFO - save best.pdb 2021-05-07 23:00:27,194 INFO - save plot e_step.png 2021-05-07 23:00:27,751 INFO - done