2021-05-07 22:54:45,248 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/74938e81-6d39-4a9b-8512-1d4d330749e5//ref_struc/prot-na_19467/prot-na_19467.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2021-05-07 22:54:46,589 INFO - step #1 R -85423.29 -577065.07 -188358.21 680000.00 T= 15000.00 K
2021-05-07 22:54:46,892 INFO - step #2 T 62268.85 -626688.21 -191042.94 880000.00 T= 14950.15 K
2021-05-07 22:54:47,691 INFO - step #3 T -263826.53 -660804.41 -203022.12 600000.00 T= 14750.76 K
2021-05-07 22:54:48,170 INFO - step #4 T -268327.66 -689311.07 -219016.59 640000.00 T= 14700.92 K
2021-05-07 22:54:50,338 INFO - step #5 R -268327.66 -689311.07 -219016.59 640000.00 T= 14302.14 K
2021-05-07 22:54:53,668 INFO - step #6 R -287268.54 -716133.94 -211134.59 640000.00 T= 13654.12 K
2021-05-07 22:54:54,990 INFO - step #7 R -279039.45 -709294.89 -209744.56 640000.00 T= 13305.19 K
2021-05-07 22:54:55,541 INFO - step #8 R -132827.34 -715751.04 -217076.30 800000.00 T= 13205.49 K
2021-05-07 22:54:55,864 INFO - step #9 R -133807.55 -716731.25 -217076.30 800000.00 T= 13155.64 K
2021-05-07 22:54:56,315 INFO - step #10 T -353794.27 -725690.88 -228103.38 600000.00 T= 13105.80 K
2021-05-07 22:54:56,618 INFO - step #11 T -104952.62 -600963.61 -183989.01 680000.00 T= 13055.95 K
2021-05-07 22:54:57,534 INFO - step #12 R -366121.18 -679742.24 -206378.94 520000.00 T= 12856.56 K
2021-05-07 22:54:58,346 INFO - step #13 T -226944.06 -629178.21 -197765.85 600000.00 T= 12657.17 K
2021-05-07 22:54:58,649 INFO - step #14 R 48119.32 -557921.82 -193958.86 800000.00 T= 12607.32 K
2021-05-07 22:54:58,948 INFO - step #15 R 521534.56 -455444.88 -143020.56 1120000.00 T= 12557.47 K
2021-05-07 22:54:59,260 INFO - step #16 T 419043.57 -502399.21 -158557.23 1080000.00 T= 12507.63 K
2021-05-07 22:54:59,906 INFO - step #17 R 97894.57 -603488.73 -178616.71 880000.00 T= 12358.08 K
2021-05-07 22:55:01,485 INFO - step #18 R 499582.46 -609022.79 -171394.75 1280000.00 T= 12009.15 K
2021-05-07 22:55:02,077 INFO - step #19 R 247741.72 -614862.14 -177396.14 1040000.00 T= 11909.46 K
2021-05-07 22:55:02,616 INFO - step #20 R 62154.98 -659340.71 -158504.32 880000.00 T= 11809.76 K
2021-05-07 22:55:03,294 INFO - step #21 R -22743.53 -558599.16 -184144.37 720000.00 T= 11710.07 K
2021-05-07 22:55:03,607 INFO - step #22 R -8892.01 -549616.89 -179275.12 720000.00 T= 11660.22 K
2021-05-07 22:55:04,093 INFO - step #23 R -172661.52 -611552.28 -201109.23 640000.00 T= 11610.37 K
2021-05-07 22:55:04,786 INFO - step #24 T 3884.95 -586054.86 -170060.19 760000.00 T= 11510.68 K
2021-05-07 22:55:05,103 INFO - step #25 T 96851.28 -697227.19 -165921.52 960000.00 T= 11460.83 K
2021-05-07 22:55:05,417 INFO - step #26 R -17084.09 -625566.10 -191517.99 800000.00 T= 11410.98 K
2021-05-07 22:55:06,004 INFO - step #27 R -48451.48 -619381.58 -189069.90 760000.00 T= 11311.29 K
2021-05-07 22:55:06,519 INFO - step #28 T -83960.70 -633808.73 -210151.97 760000.00 T= 11261.44 K
2021-05-07 22:55:06,900 INFO - step #29 R -176616.27 -588969.91 -187646.37 600000.00 T= 11211.59 K
2021-05-07 22:55:08,655 INFO - step #30 R -78276.22 -668002.00 -210274.22 800000.00 T= 10812.81 K
2021-05-07 22:55:09,221 INFO - step #31 T -376955.98 -645294.21 -211661.76 480000.00 T= 10762.97 K
2021-05-07 22:55:10,180 INFO - step #32 T -300503.49 -557148.23 -183355.25 440000.00 T= 10563.58 K
2021-05-07 22:55:10,666 INFO - step #33 R -400908.96 -593601.72 -167307.24 360000.00 T= 10463.88 K
2021-05-07 22:55:12,441 INFO - step #34 R -352150.59 -625981.24 -166169.35 440000.00 T= 10065.10 K
2021-05-07 22:55:13,118 INFO - step #35 T -249176.72 -684536.15 -164640.57 600000.00 T= 9965.41 K
2021-05-07 22:55:13,804 INFO - step #36 T -166503.19 -690600.42 -195902.77 720000.00 T= 9865.71 K
2021-05-07 22:55:14,462 INFO - step #37 T -313458.06 -594456.34 -159001.71 440000.00 T= 9716.17 K
2021-05-07 22:55:14,768 INFO - step #38 T -479015.56 -604066.63 -194948.93 320000.00 T= 9666.32 K
2021-05-07 22:55:15,627 INFO - step #39 T -545124.22 -656145.70 -208978.52 320000.00 T= 9516.78 K
2021-05-07 22:55:16,234 INFO - step #40 R -456248.61 -651751.26 -204497.35 400000.00 T= 9466.93 K
2021-05-07 22:55:17,046 INFO - step #41 R -454888.39 -650391.04 -204497.35 400000.00 T= 9267.54 K
2021-05-07 22:55:17,812 INFO - step #42 T -466514.42 -716534.83 -189979.59 440000.00 T= 9118.00 K
2021-05-07 22:55:18,673 INFO - step #43 T -436403.36 -671741.53 -164661.84 400000.00 T= 9018.31 K
2021-05-07 22:55:18,983 INFO - step #44 T -357889.97 -591655.27 -166234.70 400000.00 T= 8968.46 K
2021-05-07 22:55:19,373 INFO - step #45 R -296896.44 -618308.39 -158588.05 480000.00 T= 8918.61 K
2021-05-07 22:55:20,062 INFO - step #46 R -540964.10 -608423.39 -172540.72 240000.00 T= 8868.76 K
2021-05-07 22:55:28,182 INFO - step #47 R -536598.83 -606605.33 -169993.50 240000.00 T= 6874.86 K
2021-05-07 22:55:30,735 INFO - step #48 T -501621.85 -583201.58 -158420.26 240000.00 T= 6326.54 K
2021-05-07 22:55:31,317 INFO - step #49 R -494064.58 -601011.99 -173052.60 280000.00 T= 6276.69 K
2021-05-07 22:55:32,526 INFO - step #50 T -440574.27 -635704.47 -164869.81 360000.00 T= 6127.15 K
2021-05-07 22:55:33,351 INFO - step #51 R -448701.83 -650171.43 -158530.40 360000.00 T= 5927.76 K
2021-05-07 22:55:34,711 INFO - step #52 T -461396.32 -620696.06 -160700.25 320000.00 T= 5778.22 K
2021-05-07 22:55:35,195 INFO - step #53 R -443430.40 -602696.49 -160733.90 320000.00 T= 5678.53 K
2021-05-07 22:55:36,048 INFO - step #54 R -427815.33 -591602.89 -156212.44 320000.00 T= 5528.98 K
2021-05-07 22:55:36,397 INFO - step #55 T -411256.98 -600598.69 -170658.29 360000.00 T= 5479.14 K
2021-05-07 22:55:36,754 INFO - step #56 T -405317.16 -603132.95 -202184.21 400000.00 T= 5429.29 K
2021-05-07 22:55:37,062 INFO - step #57 R -462315.53 -570162.34 -172153.19 280000.00 T= 5379.44 K
2021-05-07 22:55:38,044 INFO - step #58 T -491074.33 -585003.49 -186070.84 280000.00 T= 5130.20 K
2021-05-07 22:55:40,114 INFO - step #59 R -526670.16 -588280.24 -178389.92 240000.00 T= 4581.88 K
2021-05-07 22:55:41,296 INFO - step #60 R -524435.13 -587687.88 -176747.24 240000.00 T= 4332.64 K
2021-05-07 22:55:41,924 INFO - step #61 R -546266.87 -598971.20 -187295.67 240000.00 T= 4183.10 K
2021-05-07 22:55:43,440 INFO - step #62 R -511696.90 -574973.63 -176723.27 240000.00 T= 3983.71 K
2021-05-07 22:55:44,602 INFO - step #63 R -540952.84 -589590.75 -191362.09 240000.00 T= 3684.63 K
2021-05-07 22:55:44,929 INFO - step #64 T -503052.64 -568527.71 -174524.94 240000.00 T= 3634.78 K
2021-05-07 22:55:45,557 INFO - step #65 R -497084.75 -566281.77 -170802.98 240000.00 T= 3485.24 K
2021-05-07 22:55:46,779 INFO - step #66 R -473248.56 -576130.07 -177118.49 280000.00 T= 3236.00 K
2021-05-07 22:55:47,084 INFO - step #67 R -538332.14 -596032.40 -182299.74 240000.00 T= 3186.15 K
2021-05-07 22:55:50,983 INFO - step #68 R -529112.12 -586802.83 -182309.30 240000.00 T= 2338.75 K
2021-05-07 22:56:02,127 INFO - save short traj
2021-05-07 22:56:02,295 INFO - save best.pdb
2021-05-07 22:56:02,335 INFO - save plot e_step.png
2021-05-07 22:56:03,111 INFO - done
2021-05-07 22:56:04,186 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/74938e81-6d39-4a9b-8512-1d4d330749e5//ref_struc/prot-na_19467/prot-na_19467.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2021-05-07 22:56:05,864 INFO - step #1 R -133661.85 -580970.71 -192691.13 640000.00 T= 14950.15 K
2021-05-07 22:56:07,171 INFO - step #2 T -247832.24 -558481.17 -169351.07 480000.00 T= 14601.22 K
2021-05-07 22:56:07,998 INFO - step #3 T -166666.03 -497963.79 -148702.24 480000.00 T= 14451.68 K
2021-05-07 22:56:08,498 INFO - step #4 T -13929.28 -471000.05 -142929.24 600000.00 T= 14351.98 K
2021-05-07 22:56:09,071 INFO - step #5 R -48927.69 -463097.43 -145830.26 560000.00 T= 14302.14 K
2021-05-07 22:56:09,482 INFO - step #6 T -16000.48 -432683.74 -143316.74 560000.00 T= 14252.29 K
2021-05-07 22:56:09,768 INFO - step #7 R -27810.74 -447209.29 -140601.45 560000.00 T= 14202.44 K
2021-05-07 22:56:10,060 INFO - step #8 R -16795.93 -433453.13 -143342.81 560000.00 T= 14152.59 K
2021-05-07 22:56:10,345 INFO - step #9 T 59933.22 -378262.65 -121804.14 560000.00 T= 14102.75 K
2021-05-07 22:56:10,629 INFO - step #10 T 198640.63 -342933.04 -98426.32 640000.00 T= 14052.90 K
2021-05-07 22:56:10,924 INFO - step #11 R -116634.74 -513099.56 -163535.18 560000.00 T= 14003.05 K
2021-05-07 22:56:11,826 INFO - step #12 T -82860.76 -436083.13 -126777.62 480000.00 T= 13853.51 K
2021-05-07 22:56:12,425 INFO - step #13 R -232027.42 -428406.62 -123620.81 320000.00 T= 13753.81 K
2021-05-07 22:56:12,760 INFO - step #14 T -43162.93 -495639.13 -147523.80 600000.00 T= 13703.97 K
2021-05-07 22:56:13,424 INFO - step #15 R -125816.55 -514387.99 -171428.56 560000.00 T= 13654.12 K
2021-05-07 22:56:14,152 INFO - step #16 T -158034.75 -458950.70 -139084.05 440000.00 T= 13504.58 K
2021-05-07 22:56:14,551 INFO - step #17 R -342162.93 -520705.93 -141457.00 320000.00 T= 13454.73 K
2021-05-07 22:56:14,979 INFO - step #18 T -309704.35 -513649.21 -156055.14 360000.00 T= 13404.88 K
2021-05-07 22:56:15,433 INFO - step #19 T -275122.93 -546186.33 -168936.60 440000.00 T= 13355.03 K
2021-05-07 22:56:15,884 INFO - step #20 R -271636.10 -545275.19 -166360.91 440000.00 T= 13255.34 K
2021-05-07 22:56:16,662 INFO - step #21 R -289144.88 -526353.30 -162791.58 400000.00 T= 13105.80 K
2021-05-07 22:56:17,160 INFO - step #22 R -325327.30 -526378.61 -158948.69 360000.00 T= 13006.10 K
2021-05-07 22:56:17,738 INFO - step #23 T -335812.19 -569437.56 -166374.63 400000.00 T= 12906.41 K
2021-05-07 22:56:18,686 INFO - step #24 T -326166.36 -528276.62 -157889.75 360000.00 T= 12756.86 K
2021-05-07 22:56:19,058 INFO - step #25 R -360858.21 -460250.83 -140607.38 240000.00 T= 12707.02 K
2021-05-07 22:56:20,064 INFO - step #26 T -415159.47 -447350.36 -127809.11 160000.00 T= 12607.32 K
2021-05-07 22:56:20,501 INFO - step #27 R -397197.90 -448496.81 -108701.08 160000.00 T= 12507.63 K
2021-05-07 22:56:21,150 INFO - step #28 T -423700.04 -389036.99 -114663.05 80000.00 T= 12407.93 K
2021-05-07 22:56:21,440 INFO - step #29 T -411598.94 -481129.38 -130469.57 200000.00 T= 12358.08 K
2021-05-07 22:56:21,728 INFO - step #30 T -485752.00 -437905.94 -127846.06 80000.00 T= 12308.24 K
2021-05-07 22:56:22,471 INFO - step #31 T -410043.76 -469460.79 -140582.96 200000.00 T= 12158.69 K
2021-05-07 22:56:22,764 INFO - step #32 T -444817.37 -462334.64 -142482.72 160000.00 T= 12108.85 K
2021-05-07 22:56:23,800 INFO - step #33 T -413960.23 -457181.59 -116778.65 160000.00 T= 11959.31 K
2021-05-07 22:56:24,548 INFO - step #34 R -396117.06 -440088.08 -116028.98 160000.00 T= 11859.61 K
2021-05-07 22:56:25,163 INFO - step #35 T -416475.00 -346055.21 -110419.79 40000.00 T= 11759.92 K
2021-05-07 22:56:25,450 INFO - step #36 R -414026.99 -343607.20 -110419.79 40000.00 T= 11710.07 K
2021-05-07 22:56:25,802 INFO - step #37 R -348179.48 -362334.07 -105845.41 120000.00 T= 11660.22 K
2021-05-07 22:56:26,411 INFO - step #38 T -285056.96 -308191.10 -96865.86 120000.00 T= 11560.53 K
2021-05-07 22:56:26,692 INFO - step #39 T -285199.13 -287014.28 -78184.85 80000.00 T= 11510.68 K
2021-05-07 22:56:27,097 INFO - step #40 R -399667.14 -342241.82 -97425.31 40000.00 T= 11460.83 K
2021-05-07 22:56:28,113 INFO - step #41 T -298846.81 -339522.63 -79324.19 120000.00 T= 11311.29 K
2021-05-07 22:56:28,549 INFO - step #42 R -297334.39 -331959.90 -85374.49 120000.00 T= 11211.59 K
2021-05-07 22:56:28,836 INFO - step #43 T -237745.39 -293319.55 -64425.83 120000.00 T= 11161.75 K
2021-05-07 22:56:29,124 INFO - step #44 T -289852.95 -324324.97 -85527.99 120000.00 T= 11111.90 K
2021-05-07 22:56:29,410 INFO - step #45 R -305142.91 -333446.58 -91696.33 120000.00 T= 11062.05 K
2021-05-07 22:56:29,702 INFO - step #46 R -285871.70 -327250.34 -78621.36 120000.00 T= 11012.20 K
2021-05-07 22:56:30,236 INFO - step #47 T -235421.66 -289078.04 -66343.62 120000.00 T= 10962.36 K
2021-05-07 22:56:30,655 INFO - step #48 R -245669.99 -286212.12 -79457.88 120000.00 T= 10912.51 K
2021-05-07 22:56:31,007 INFO - step #49 T -177343.07 -236465.07 -60878.00 120000.00 T= 10862.66 K
2021-05-07 22:56:31,366 INFO - step #50 T -115760.00 -189539.43 -46220.57 120000.00 T= 10812.81 K
2021-05-07 22:56:31,778 INFO - step #51 R -174929.48 -208709.28 -46220.19 80000.00 T= 10713.12 K
2021-05-07 22:56:32,727 INFO - step #52 T -131350.11 -173799.60 -37550.50 80000.00 T= 10663.27 K
2021-05-07 22:56:33,442 INFO - step #53 R -108536.56 -187885.51 -40651.05 120000.00 T= 10563.58 K
2021-05-07 22:56:33,723 INFO - step #54 R -145432.73 -214242.76 -51189.97 120000.00 T= 10513.73 K
2021-05-07 22:56:34,146 INFO - step #55 T -185193.00 -260473.54 -84719.46 160000.00 T= 10414.03 K
2021-05-07 22:56:35,135 INFO - step #56 R -183268.61 -264802.07 -78466.55 160000.00 T= 10214.64 K
2021-05-07 22:56:35,991 INFO - step #57 R -150568.09 -217560.89 -53007.20 120000.00 T= 10015.25 K
2021-05-07 22:56:36,469 INFO - step #58 T -5409.42 -142914.68 -22494.74 160000.00 T= 9965.41 K
2021-05-07 22:56:36,746 INFO - step #59 R -67293.20 -152021.98 -35271.22 120000.00 T= 9915.56 K
2021-05-07 22:56:37,231 INFO - step #60 R 65378.04 -175303.13 -39318.83 280000.00 T= 9865.71 K
2021-05-07 22:56:37,509 INFO - step #61 T 92165.71 -153828.41 -34005.88 280000.00 T= 9815.86 K
2021-05-07 22:56:37,801 INFO - step #62 T -54666.74 -111540.73 -23126.01 80000.00 T= 9766.02 K
2021-05-07 22:56:38,500 INFO - step #63 T -89340.31 -104421.42 -24918.89 40000.00 T= 9666.32 K
2021-05-07 22:56:38,775 INFO - step #64 R -86953.36 -102034.46 -24918.89 40000.00 T= 9616.47 K
2021-05-07 22:56:39,050 INFO - step #65 R 95934.35 -112177.40 -31888.25 240000.00 T= 9566.63 K
2021-05-07 22:56:40,000 INFO - step #66 R -181925.99 -143441.77 -38484.21 0.00 T= 9516.78 K
2021-05-07 22:56:40,627 INFO - step #67 R -184677.87 -143255.15 -41422.72 0.00 T= 9417.08 K
2021-05-07 22:56:41,022 INFO - step #68 T -144608.43 -116975.49 -27632.94 0.00 T= 9367.24 K
2021-05-07 22:56:41,428 INFO - step #69 T -115924.29 -91325.14 -24599.15 0.00 T= 9317.39 K
2021-05-07 22:56:41,914 INFO - step #70 R -62796.40 -46780.08 -16016.32 0.00 T= 9267.54 K
2021-05-07 22:56:42,190 INFO - step #71 T -65280.35 -52100.38 -13179.97 0.00 T= 9217.69 K
2021-05-07 22:56:42,466 INFO - step #72 T -93868.29 -72191.85 -21676.44 0.00 T= 9167.85 K
2021-05-07 22:56:42,739 INFO - step #73 T -99069.14 -74191.27 -24877.87 0.00 T= 9118.00 K
2021-05-07 22:56:43,016 INFO - step #74 T -156128.58 -116232.67 -39895.91 0.00 T= 9068.15 K
2021-05-07 22:56:43,448 INFO - step #75 T -109134.16 -78709.13 -30425.03 0.00 T= 9018.31 K
2021-05-07 22:56:43,720 INFO - step #76 T -101709.55 -77078.22 -24631.33 0.00 T= 8968.46 K
2021-05-07 22:56:44,127 INFO - step #77 T -99464.89 -74805.60 -24659.29 0.00 T= 8868.76 K
2021-05-07 22:56:44,530 INFO - step #78 T -110187.76 -83887.67 -26300.09 0.00 T= 8818.92 K
2021-05-07 22:56:44,808 INFO - step #79 T -179164.21 -139198.09 -39966.12 0.00 T= 8769.07 K
2021-05-07 22:56:45,087 INFO - step #80 R -122006.72 -92691.15 -29315.57 0.00 T= 8719.22 K
2021-05-07 22:56:45,366 INFO - step #81 T -127913.00 -98657.62 -29255.39 0.00 T= 8669.37 K
2021-05-07 22:56:45,644 INFO - step #82 T -146979.38 -116040.08 -30939.30 0.00 T= 8619.53 K
2021-05-07 22:56:46,596 INFO - step #83 R -132333.52 -104451.00 -27882.52 0.00 T= 8569.68 K
2021-05-07 22:56:47,188 INFO - step #84 R -114941.55 -88352.78 -26588.77 0.00 T= 8469.98 K
2021-05-07 22:56:47,470 INFO - step #85 R -132333.52 -104451.00 -27882.52 0.00 T= 8420.14 K
2021-05-07 22:56:47,749 INFO - step #86 R -179473.41 -142560.01 -36913.41 0.00 T= 8370.29 K
2021-05-07 22:56:48,035 INFO - step #87 T -219170.39 -166326.61 -52843.78 0.00 T= 8320.44 K
2021-05-07 22:56:48,320 INFO - step #88 T -199859.20 -182799.25 -57059.95 40000.00 T= 8270.59 K
2021-05-07 22:56:48,603 INFO - step #89 T -207223.00 -157638.99 -49584.01 0.00 T= 8220.75 K
2021-05-07 22:56:48,885 INFO - step #90 T -186536.74 -148029.25 -38507.49 0.00 T= 8170.90 K
2021-05-07 22:56:49,169 INFO - step #91 T -191666.71 -142180.15 -49486.55 0.00 T= 8121.05 K
2021-05-07 22:56:49,556 INFO - step #92 R -236727.32 -179036.22 -57691.09 0.00 T= 8071.20 K
2021-05-07 22:56:50,022 INFO - step #93 T -217347.91 -164683.99 -52663.92 0.00 T= 7971.51 K
2021-05-07 22:56:50,303 INFO - step #94 T -192609.82 -174353.43 -58256.39 40000.00 T= 7921.66 K
2021-05-07 22:56:50,583 INFO - step #95 R -244292.88 -184306.37 -59986.52 0.00 T= 7871.81 K
2021-05-07 22:56:50,996 INFO - step #96 T -222137.40 -170440.57 -51696.83 0.00 T= 7772.12 K
2021-05-07 22:56:51,272 INFO - step #97 R -223597.01 -170440.57 -53156.44 0.00 T= 7722.27 K
2021-05-07 22:56:51,684 INFO - step #98 T -189919.08 -146705.53 -43213.55 0.00 T= 7622.58 K
2021-05-07 22:56:52,062 INFO - step #99 R -195981.61 -152647.26 -43334.34 0.00 T= 7572.73 K
2021-05-07 22:56:52,631 INFO - step #100 R -127551.28 -99696.10 -27855.18 0.00 T= 7473.03 K
2021-05-07 22:56:52,910 INFO - step #101 T -151974.47 -115417.16 -36557.31 0.00 T= 7423.19 K
2021-05-07 22:56:53,210 INFO - step #102 R -165931.09 -127795.74 -38135.35 0.00 T= 7373.34 K
2021-05-07 22:56:53,669 INFO - step #103 R -191792.90 -177871.65 -53921.25 40000.00 T= 7323.49 K
2021-05-07 22:56:55,164 INFO - step #104 T -118202.70 -126727.72 -31474.98 40000.00 T= 7173.95 K
2021-05-07 22:56:55,974 INFO - step #105 R -125887.89 -96631.65 -29256.24 0.00 T= 7024.41 K
2021-05-07 22:56:56,253 INFO - step #106 T -151476.54 -111704.41 -39772.14 0.00 T= 6974.56 K
2021-05-07 22:56:56,625 INFO - step #107 R -216292.10 -162476.46 -53815.64 0.00 T= 6924.71 K
2021-05-07 22:56:56,915 INFO - step #108 T -226269.40 -170870.45 -55398.95 0.00 T= 6874.86 K
2021-05-07 22:56:57,428 INFO - step #109 T -179631.74 -142521.56 -37110.17 0.00 T= 6825.02 K
2021-05-07 22:56:57,706 INFO - step #110 T -213981.12 -165934.66 -48046.46 0.00 T= 6775.17 K
2021-05-07 22:56:58,121 INFO - step #111 R -212497.18 -164450.72 -48046.46 0.00 T= 6675.47 K
2021-05-07 22:56:58,403 INFO - step #112 T -236999.26 -178951.16 -58048.10 0.00 T= 6625.63 K
2021-05-07 22:56:58,826 INFO - step #113 T -186231.35 -169536.18 -56695.17 40000.00 T= 6525.93 K
2021-05-07 22:56:59,111 INFO - step #114 T -304451.33 -258260.85 -86190.49 40000.00 T= 6476.08 K
2021-05-07 22:56:59,808 INFO - step #115 T -252937.82 -253465.23 -79472.59 80000.00 T= 6276.69 K
2021-05-07 22:57:00,476 INFO - step #116 T -213655.83 -251845.49 -81810.34 120000.00 T= 6127.15 K
2021-05-07 22:57:00,761 INFO - step #117 R -114593.43 -216736.48 -57856.95 160000.00 T= 6077.31 K
2021-05-07 22:57:01,888 INFO - step #118 R -265851.00 -264655.66 -81195.34 80000.00 T= 5828.07 K
2021-05-07 22:57:02,329 INFO - step #119 T -189687.35 -287422.42 -102264.92 200000.00 T= 5778.22 K
2021-05-07 22:57:03,039 INFO - step #120 T -175855.69 -281584.51 -94271.18 200000.00 T= 5628.68 K
2021-05-07 22:57:03,474 INFO - step #121 R -240815.30 -309080.00 -91735.29 160000.00 T= 5528.98 K
2021-05-07 22:57:03,760 INFO - step #122 T -270491.24 -303609.22 -86882.02 120000.00 T= 5479.14 K
2021-05-07 22:57:04,191 INFO - step #123 T -263025.64 -303444.80 -79580.85 120000.00 T= 5379.44 K
2021-05-07 22:57:06,583 INFO - step #124 T -278147.52 -304510.80 -93636.72 120000.00 T= 4631.73 K
2021-05-07 22:57:07,439 INFO - step #125 R -278357.07 -304601.06 -93756.01 120000.00 T= 4432.34 K
2021-05-07 22:57:08,890 INFO - step #126 T -251563.42 -255444.21 -76119.21 80000.00 T= 4133.25 K
2021-05-07 22:57:09,720 INFO - step #127 T -255973.60 -252871.45 -83102.15 80000.00 T= 4033.56 K
2021-05-07 22:57:10,522 INFO - step #128 T -247319.93 -289377.97 -77941.96 120000.00 T= 3884.02 K
2021-05-07 22:57:13,112 INFO - step #129 R -194884.29 -246712.56 -68171.73 120000.00 T= 3584.93 K
2021-05-07 22:57:13,433 INFO - step #130 R -197362.30 -177525.08 -59837.22 40000.00 T= 3535.08 K
2021-05-07 22:57:13,832 INFO - step #131 T -295442.73 -249063.26 -86379.47 40000.00 T= 3485.24 K
2021-05-07 22:57:14,117 INFO - step #132 T -353890.23 -259265.52 -94624.71 0.00 T= 3435.39 K
2021-05-07 22:57:14,575 INFO - step #133 T -300987.75 -220851.97 -80135.78 0.00 T= 3385.54 K
2021-05-07 22:57:14,859 INFO - step #134 R -328432.32 -248565.35 -79866.97 0.00 T= 3335.69 K
2021-05-07 22:57:15,287 INFO - step #135 T -328579.17 -279412.17 -89167.00 40000.00 T= 3285.85 K
2021-05-07 22:57:15,714 INFO - step #136 T -318187.92 -265505.81 -92682.10 40000.00 T= 3186.15 K
2021-05-07 22:57:16,005 INFO - step #137 R -318087.87 -265405.77 -92682.10 40000.00 T= 3136.31 K
2021-05-07 22:57:16,859 INFO - step #138 T -308993.73 -318055.94 -110937.80 120000.00 T= 2986.76 K
2021-05-07 22:57:17,291 INFO - step #139 T -301222.45 -287748.89 -93473.56 80000.00 T= 2887.07 K
2021-05-07 22:57:17,576 INFO - step #140 R -318968.90 -303972.11 -94996.79 80000.00 T= 2837.22 K
2021-05-07 22:57:17,860 INFO - step #141 R -343611.73 -292045.42 -91566.31 40000.00 T= 2787.37 K
2021-05-07 22:57:18,151 INFO - step #142 T -338822.84 -334183.38 -124639.46 120000.00 T= 2737.53 K
2021-05-07 22:57:18,888 INFO - step #143 R -356766.40 -353506.03 -123260.37 120000.00 T= 2538.14 K
2021-05-07 22:57:19,990 INFO - step #144 R -402069.53 -333347.91 -108721.61 40000.00 T= 2288.90 K
2021-05-07 22:57:21,092 INFO - step #145 R -387536.30 -314948.39 -112587.91 40000.00 T= 1989.81 K
2021-05-07 22:57:22,100 INFO - step #146 R -394455.69 -326895.70 -107559.99 40000.00 T= 1740.58 K
2021-05-07 22:57:22,675 INFO - step #147 T -366884.21 -293421.76 -113462.45 40000.00 T= 1640.88 K
2021-05-07 22:57:23,240 INFO - step #148 T -422099.51 -316780.62 -105318.89 0.00 T= 1541.19 K
2021-05-07 22:57:24,010 INFO - step #149 T -422654.35 -345578.89 -117075.46 40000.00 T= 1341.80 K
2021-05-07 22:57:25,356 INFO - step #150 T -421806.94 -347394.65 -114412.28 40000.00 T= 943.02 K
2021-05-07 22:57:26,972 INFO - step #151 R -419171.57 -344663.50 -114508.07 40000.00 T= 494.39 K
2021-05-07 22:57:27,259 INFO - step #152 T -421836.32 -346321.71 -115514.62 40000.00 T= 444.54 K
2021-05-07 22:57:33,209 INFO - save short traj
2021-05-07 22:57:33,417 INFO - save best.pdb
2021-05-07 22:57:33,457 INFO - save plot e_step.png
2021-05-07 22:57:34,125 INFO - done