2026-10-24 04:15:59,067 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/bf48c7c5-9cc0-469b-8b34-dae41246421d//ref_struc/prot-na_1642/prot-na_1642.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2026-10-24 04:15:59,816 INFO - step #1 R 200912.58 -690197.05 -188890.37 1080000.00 T= 15000.00 K
2026-10-24 04:15:59,989 INFO - step #2 T 209877.67 -623346.36 -166775.97 1000000.00 T= 14950.15 K
2026-10-24 04:16:00,160 INFO - step #3 T 290818.56 -696852.84 -172328.60 1160000.00 T= 14900.31 K
2026-10-24 04:16:00,332 INFO - step #4 R 83420.63 -740290.45 -176288.92 1000000.00 T= 14850.46 K
2026-10-24 04:16:00,506 INFO - step #5 T -15687.54 -712166.95 -183520.59 880000.00 T= 14800.61 K
2026-10-24 04:16:00,986 INFO - step #6 T 93699.66 -762690.86 -183609.48 1040000.00 T= 14651.07 K
2026-10-24 04:16:01,169 INFO - step #7 R 124808.63 -741650.93 -173540.44 1040000.00 T= 14601.22 K
2026-10-24 04:16:01,472 INFO - step #8 R 57531.32 -692741.13 -169727.55 920000.00 T= 14501.53 K
2026-10-24 04:16:02,002 INFO - step #9 R 68451.38 -679929.01 -171619.60 920000.00 T= 14302.14 K
2026-10-24 04:16:02,408 INFO - step #10 T 369189.16 -698867.57 -171943.27 1240000.00 T= 14152.59 K
2026-10-24 04:16:02,805 INFO - step #11 R -132618.61 -720497.21 -172121.40 760000.00 T= 14003.05 K
2026-10-24 04:16:03,093 INFO - step #12 T -80341.38 -677927.85 -162413.53 760000.00 T= 13903.36 K
2026-10-24 04:16:04,144 INFO - step #13 T -58703.50 -759488.30 -179215.20 880000.00 T= 13504.58 K
2026-10-24 04:16:04,892 INFO - step #14 R -93867.06 -757610.57 -176256.50 840000.00 T= 13205.49 K
2026-10-24 04:16:05,064 INFO - step #15 T -125165.41 -612822.42 -152342.99 640000.00 T= 13155.64 K
2026-10-24 04:16:05,354 INFO - step #16 T -241611.42 -681552.69 -200058.73 640000.00 T= 13055.95 K
2026-10-24 04:16:05,642 INFO - step #17 R -323459.82 -624841.39 -178618.44 480000.00 T= 12956.25 K
2026-10-24 04:16:05,817 INFO - step #18 R -512526.04 -703394.42 -209131.61 400000.00 T= 12906.41 K
2026-10-24 04:16:06,358 INFO - step #19 R -468958.56 -787132.52 -241826.04 560000.00 T= 12756.86 K
2026-10-24 04:16:07,331 INFO - step #20 T -489978.82 -679585.76 -170393.05 360000.00 T= 12358.08 K
2026-10-24 04:16:07,507 INFO - step #21 R -554574.33 -653718.52 -180855.80 280000.00 T= 12308.24 K
2026-10-24 04:16:07,901 INFO - step #22 T -470951.04 -736145.57 -214805.47 480000.00 T= 12158.69 K
2026-10-24 04:16:08,311 INFO - step #23 T -365704.97 -767548.95 -238156.02 640000.00 T= 12009.15 K
2026-10-24 04:16:08,496 INFO - step #24 R -394873.00 -751220.86 -243652.14 600000.00 T= 11959.31 K
2026-10-24 04:16:08,840 INFO - step #25 T -385541.37 -682778.14 -182763.23 480000.00 T= 11909.46 K
2026-10-24 04:16:09,017 INFO - step #26 T -431060.01 -758006.50 -233053.51 560000.00 T= 11859.61 K
2026-10-24 04:16:09,196 INFO - step #27 R -320795.40 -737423.17 -223372.23 640000.00 T= 11809.76 K
2026-10-24 04:16:09,831 INFO - step #28 R -705016.55 -714749.45 -230267.10 240000.00 T= 11560.53 K
2026-10-24 04:16:14,040 INFO - step #29 T -689592.99 -673620.56 -215972.43 200000.00 T= 9766.02 K
2026-10-24 04:16:14,214 INFO - step #30 R -640670.32 -664435.96 -216234.36 240000.00 T= 9716.17 K
2026-10-24 04:16:14,614 INFO - step #31 R -408245.17 -558053.25 -170191.92 320000.00 T= 9666.32 K
2026-10-24 04:16:14,786 INFO - step #32 T -547637.27 -533619.56 -174017.71 160000.00 T= 9616.47 K
2026-10-24 04:16:15,073 INFO - step #33 T -526467.69 -526503.86 -159963.82 160000.00 T= 9516.78 K
2026-10-24 04:16:15,559 INFO - step #34 T -374154.86 -430421.15 -143733.71 200000.00 T= 9317.39 K
2026-10-24 04:16:15,829 INFO - step #35 R -416731.99 -423786.46 -152945.54 160000.00 T= 9217.69 K
2026-10-24 04:16:15,996 INFO - step #36 R -398004.23 -409342.93 -148661.30 160000.00 T= 9167.85 K
2026-10-24 04:16:16,465 INFO - step #37 T -483019.62 -445465.87 -157553.75 120000.00 T= 8968.46 K
2026-10-24 04:16:16,739 INFO - step #38 R -514974.43 -449506.21 -145468.22 80000.00 T= 8868.76 K
2026-10-24 04:16:17,006 INFO - step #39 T -237370.00 -414826.78 -142543.22 320000.00 T= 8769.07 K
2026-10-24 04:16:17,446 INFO - step #40 T -166107.09 -332115.66 -113991.43 280000.00 T= 8719.22 K
2026-10-24 04:16:17,717 INFO - step #41 T -110459.18 -308251.29 -122207.88 320000.00 T= 8619.53 K
2026-10-24 04:16:17,884 INFO - step #42 R -96143.34 -281819.76 -94323.58 280000.00 T= 8569.68 K
2026-10-24 04:16:18,050 INFO - step #43 R -161272.09 -332911.16 -108360.92 280000.00 T= 8519.83 K
2026-10-24 04:16:18,842 INFO - step #44 T -47436.18 -272247.88 -95188.29 320000.00 T= 8170.90 K
2026-10-24 04:16:19,008 INFO - step #45 R -48584.89 -272378.39 -96206.50 320000.00 T= 8121.05 K
2026-10-24 04:16:19,188 INFO - step #46 R -65664.71 -288101.81 -97562.90 320000.00 T= 8071.20 K
2026-10-24 04:16:19,348 INFO - step #47 R -43576.41 -267465.02 -96111.40 320000.00 T= 8021.36 K
2026-10-24 04:16:19,514 INFO - step #48 R -80780.01 -289907.01 -110873.01 320000.00 T= 7971.51 K
2026-10-24 04:16:19,791 INFO - step #49 R -187609.77 -315166.46 -112443.31 240000.00 T= 7871.81 K
2026-10-24 04:16:19,959 INFO - step #50 T -181431.61 -339285.78 -122145.83 280000.00 T= 7821.97 K
2026-10-24 04:16:20,462 INFO - step #51 R -134683.62 -325021.86 -129661.76 320000.00 T= 7772.12 K
2026-10-24 04:16:20,629 INFO - step #52 R -237039.81 -382239.35 -134800.46 280000.00 T= 7722.27 K
2026-10-24 04:16:20,998 INFO - step #53 T -206332.30 -391906.84 -134425.46 320000.00 T= 7572.73 K
2026-10-24 04:16:21,168 INFO - step #54 R -201684.05 -363814.14 -117869.91 280000.00 T= 7522.88 K
2026-10-24 04:16:21,339 INFO - step #55 R -291109.71 -325974.16 -125135.55 160000.00 T= 7473.03 K
2026-10-24 04:16:21,507 INFO - step #56 R -296715.18 -331579.63 -125135.55 160000.00 T= 7423.19 K
2026-10-24 04:16:21,886 INFO - step #57 T -257858.51 -351351.58 -106506.93 200000.00 T= 7273.64 K
2026-10-24 04:16:22,052 INFO - step #58 T -384570.99 -402454.77 -142116.22 160000.00 T= 7223.80 K
2026-10-24 04:16:22,429 INFO - step #59 R -273741.47 -363065.50 -110675.97 200000.00 T= 7074.25 K
2026-10-24 04:16:22,694 INFO - step #60 R -221350.78 -348771.56 -112579.21 240000.00 T= 6974.56 K
2026-10-24 04:16:22,970 INFO - step #61 T -282735.60 -367645.16 -115090.43 200000.00 T= 6874.86 K
2026-10-24 04:16:23,139 INFO - step #62 T -300621.97 -372513.67 -128108.30 200000.00 T= 6825.02 K
2026-10-24 04:16:23,315 INFO - step #63 R -293008.82 -367444.66 -125564.15 200000.00 T= 6775.17 K
2026-10-24 04:16:23,908 INFO - step #64 T -324607.96 -397243.81 -127364.15 200000.00 T= 6725.32 K
2026-10-24 04:16:24,426 INFO - step #65 T -182129.22 -473796.83 -148332.40 440000.00 T= 6525.93 K
2026-10-24 04:16:24,606 INFO - step #66 R -195041.41 -472702.10 -162339.31 440000.00 T= 6476.08 K
2026-10-24 04:16:24,790 INFO - step #67 R -294939.48 -502416.51 -152522.97 360000.00 T= 6426.24 K
2026-10-24 04:16:25,183 INFO - step #68 T -351014.96 -416989.08 -134025.88 200000.00 T= 6276.69 K
2026-10-24 04:16:25,828 INFO - step #69 T -433030.32 -445906.26 -147124.06 160000.00 T= 6027.46 K
2026-10-24 04:16:26,319 INFO - step #70 R -433030.32 -445906.26 -147124.06 160000.00 T= 5828.07 K
2026-10-24 04:16:27,724 INFO - step #71 R -427925.23 -441901.69 -146023.55 160000.00 T= 5180.05 K
2026-10-24 04:16:30,175 INFO - step #72 R -468172.50 -473878.56 -154293.94 160000.00 T= 4083.41 K
2026-10-24 04:16:31,210 INFO - step #73 T -434562.63 -444861.44 -149701.19 160000.00 T= 3634.78 K
2026-10-24 04:16:31,802 INFO - step #74 R -405457.12 -431405.30 -134051.81 160000.00 T= 3385.54 K
2026-10-24 04:16:32,301 INFO - step #75 R -436587.14 -447972.34 -148614.79 160000.00 T= 3186.15 K
2026-10-24 04:16:33,428 INFO - step #76 R -407472.24 -433420.43 -134051.81 160000.00 T= 2687.68 K
2026-10-24 04:16:33,717 INFO - step #77 R -472002.03 -446030.83 -145971.20 120000.00 T= 2587.98 K
2026-10-24 04:16:36,034 INFO - step #78 R -477202.70 -455023.34 -142179.37 120000.00 T= 1840.27 K
2026-10-24 04:16:37,729 INFO - step #79 R -495643.64 -464847.06 -150796.58 120000.00 T= 1092.56 K
2026-10-24 04:16:40,428 INFO - save short traj
2026-10-24 04:16:40,507 INFO - save best.pdb
2026-10-24 04:16:40,530 INFO - save plot e_step.png
2026-10-24 04:16:40,971 INFO - done
2026-10-24 04:16:41,823 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/bf48c7c5-9cc0-469b-8b34-dae41246421d//ref_struc/prot-na_1642/prot-na_1642.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2026-10-24 04:16:42,619 INFO - step #1 R 217845.07 -717005.11 -185149.82 1120000.00 T= 15000.00 K
2026-10-24 04:16:42,797 INFO - step #2 T 240057.92 -697179.31 -182762.77 1120000.00 T= 14950.15 K
2026-10-24 04:16:42,976 INFO - step #3 T 42266.79 -693488.19 -184245.02 920000.00 T= 14900.31 K
2026-10-24 04:16:43,175 INFO - step #4 T -97742.53 -702781.07 -194961.46 800000.00 T= 14850.46 K
2026-10-24 04:16:43,469 INFO - step #5 T 51312.65 -659195.30 -169492.05 880000.00 T= 14750.76 K
2026-10-24 04:16:43,831 INFO - step #6 R -163748.71 -730099.25 -193649.46 760000.00 T= 14651.07 K
2026-10-24 04:16:44,017 INFO - step #7 T -263928.70 -803142.12 -220786.58 760000.00 T= 14601.22 K
2026-10-24 04:16:44,202 INFO - step #8 R -292385.05 -787220.14 -225164.91 720000.00 T= 14551.37 K
2026-10-24 04:16:44,498 INFO - step #9 T -369705.21 -685428.00 -204277.21 520000.00 T= 14451.68 K
2026-10-24 04:16:44,680 INFO - step #10 R -571369.43 -684728.34 -206641.09 320000.00 T= 14401.83 K
2026-10-24 04:16:44,963 INFO - step #11 R -502030.97 -717585.99 -224444.98 440000.00 T= 14302.14 K
2026-10-24 04:16:45,373 INFO - step #12 T -563437.38 -678562.97 -204874.41 320000.00 T= 14152.59 K
2026-10-24 04:16:45,872 INFO - step #13 R -564006.13 -682101.49 -201904.65 320000.00 T= 14003.05 K
2026-10-24 04:16:46,171 INFO - step #14 T -461082.70 -652393.06 -208689.64 400000.00 T= 13903.36 K
2026-10-24 04:16:46,354 INFO - step #15 R -555173.03 -696104.28 -219068.75 360000.00 T= 13853.51 K
2026-10-24 04:16:46,533 INFO - step #16 R -679277.23 -636053.53 -203223.70 160000.00 T= 13803.66 K
2026-10-24 04:16:46,712 INFO - step #17 R -660315.54 -620012.61 -200302.93 160000.00 T= 13753.81 K
2026-10-24 04:16:47,112 INFO - step #18 R -729698.02 -672548.76 -217149.26 160000.00 T= 13604.27 K
2026-10-24 04:16:47,766 INFO - step #19 T -578832.16 -670925.43 -227906.73 320000.00 T= 13404.88 K
2026-10-24 04:16:47,948 INFO - step #20 R -569243.13 -672035.31 -217207.82 320000.00 T= 13355.03 K
2026-10-24 04:16:48,234 INFO - step #21 R -565722.52 -671087.14 -214635.38 320000.00 T= 13255.34 K
2026-10-24 04:16:48,414 INFO - step #22 T -597291.59 -660442.86 -216848.73 280000.00 T= 13205.49 K
2026-10-24 04:16:48,590 INFO - step #23 T -347587.61 -508380.17 -159207.44 320000.00 T= 13155.64 K
2026-10-24 04:16:48,764 INFO - step #24 R -338622.45 -507190.54 -151431.91 320000.00 T= 13105.80 K
2026-10-24 04:16:48,936 INFO - step #25 R -484316.02 -571390.97 -192925.05 280000.00 T= 13055.95 K
2026-10-24 04:16:49,390 INFO - step #26 R -477571.63 -566212.37 -191359.26 280000.00 T= 12956.25 K
2026-10-24 04:16:49,880 INFO - step #27 T -538497.11 -588160.57 -190336.54 240000.00 T= 12756.86 K
2026-10-24 04:16:50,050 INFO - step #28 T -474859.75 -576067.58 -178792.16 280000.00 T= 12707.02 K
2026-10-24 04:16:50,222 INFO - step #29 T -519323.96 -615384.60 -183939.36 280000.00 T= 12657.17 K
2026-10-24 04:16:50,399 INFO - step #30 R -519199.14 -619799.51 -179399.63 280000.00 T= 12607.32 K
2026-10-24 04:16:50,580 INFO - step #31 R -680288.48 -680613.30 -199675.18 200000.00 T= 12557.47 K
2026-10-24 04:16:51,318 INFO - step #32 R -685640.51 -684567.97 -201072.54 200000.00 T= 12258.39 K
2026-10-24 04:16:51,719 INFO - step #33 R -292020.81 -728782.38 -203238.43 640000.00 T= 12208.54 K
2026-10-24 04:16:52,247 INFO - step #34 R -349488.80 -786853.36 -202635.44 640000.00 T= 12009.15 K
2026-10-24 04:16:52,661 INFO - step #35 R -666622.93 -767296.15 -219326.79 320000.00 T= 11859.61 K
2026-10-24 04:16:52,958 INFO - step #36 R -630254.49 -723471.68 -226782.81 320000.00 T= 11759.92 K
2026-10-24 04:16:53,255 INFO - step #37 R -554666.51 -702347.19 -212319.32 360000.00 T= 11660.22 K
2026-10-24 04:16:53,550 INFO - step #38 R -553005.32 -700779.02 -212226.30 360000.00 T= 11560.53 K
2026-10-24 04:16:53,722 INFO - step #39 T -455153.22 -624491.11 -190662.11 360000.00 T= 11510.68 K
2026-10-24 04:16:54,019 INFO - step #40 T -482886.27 -619837.99 -183048.29 320000.00 T= 11410.98 K
2026-10-24 04:16:54,479 INFO - step #41 R -414664.96 -596093.97 -178570.99 360000.00 T= 11361.14 K
2026-10-24 04:16:54,661 INFO - step #42 R -535909.79 -566254.57 -169655.22 200000.00 T= 11311.29 K
2026-10-24 04:16:54,949 INFO - step #43 T -507643.46 -511950.77 -155692.69 160000.00 T= 11211.59 K
2026-10-24 04:16:55,120 INFO - step #44 R -438206.64 -576063.78 -182142.86 320000.00 T= 11161.75 K
2026-10-24 04:16:55,293 INFO - step #45 R -513078.07 -512727.74 -160350.34 160000.00 T= 11111.90 K
2026-10-24 04:16:55,569 INFO - step #46 R -520802.23 -523734.25 -157067.98 160000.00 T= 11012.20 K
2026-10-24 04:16:55,744 INFO - step #47 R -590752.77 -537787.88 -172964.89 120000.00 T= 10962.36 K
2026-10-24 04:16:56,036 INFO - step #48 R -676999.70 -571695.32 -185304.37 80000.00 T= 10862.66 K
2026-10-24 04:16:56,213 INFO - step #49 R -401014.43 -582313.81 -178700.63 360000.00 T= 10812.81 K
2026-10-24 04:16:56,392 INFO - step #50 T -401024.07 -584752.23 -176271.84 360000.00 T= 10762.97 K
2026-10-24 04:16:56,564 INFO - step #51 T -452825.05 -659678.49 -193146.56 400000.00 T= 10713.12 K
2026-10-24 04:16:57,453 INFO - step #52 T -377977.87 -626197.79 -191780.07 440000.00 T= 10513.73 K
2026-10-24 04:16:57,635 INFO - step #53 T -349229.30 -650818.58 -218410.72 520000.00 T= 10463.88 K
2026-10-24 04:16:57,815 INFO - step #54 T -284559.72 -697834.05 -226725.67 640000.00 T= 10414.03 K
2026-10-24 04:16:57,998 INFO - step #55 R -506582.16 -724088.61 -222493.55 440000.00 T= 10364.19 K
2026-10-24 04:16:58,177 INFO - step #56 R -496724.93 -717624.53 -219100.40 440000.00 T= 10314.34 K
2026-10-24 04:16:58,484 INFO - step #57 R -506363.39 -722671.91 -223691.47 440000.00 T= 10214.64 K
2026-10-24 04:16:58,662 INFO - step #58 T -294254.61 -609394.92 -164859.68 480000.00 T= 10164.80 K
2026-10-24 04:16:58,951 INFO - step #59 T -460941.41 -544183.02 -156758.39 240000.00 T= 10065.10 K
2026-10-24 04:16:59,268 INFO - step #60 R -385032.18 -617057.12 -167975.06 400000.00 T= 9965.41 K
2026-10-24 04:16:59,452 INFO - step #61 T -591655.43 -606023.19 -185632.24 200000.00 T= 9915.56 K
2026-10-24 04:17:00,318 INFO - step #62 R -491730.60 -653784.24 -197946.35 360000.00 T= 9566.63 K
2026-10-24 04:17:00,503 INFO - step #63 T -486060.05 -647549.52 -198510.53 360000.00 T= 9516.78 K
2026-10-24 04:17:00,691 INFO - step #64 R -361793.39 -702115.33 -219678.05 560000.00 T= 9466.93 K
2026-10-24 04:17:01,087 INFO - step #65 T -503106.64 -676309.16 -186797.49 360000.00 T= 9317.39 K
2026-10-24 04:17:01,936 INFO - step #66 R -447630.67 -624598.36 -183032.31 360000.00 T= 9167.85 K
2026-10-24 04:17:02,121 INFO - step #67 T -585942.57 -573225.87 -172716.70 160000.00 T= 9118.00 K
2026-10-24 04:17:03,499 INFO - step #68 R -571000.98 -561585.95 -169415.03 160000.00 T= 8519.83 K
2026-10-24 04:17:04,007 INFO - step #69 T -411230.65 -622825.48 -188405.16 400000.00 T= 8320.44 K
2026-10-24 04:17:04,186 INFO - step #70 R -413513.78 -620934.57 -192579.21 400000.00 T= 8270.59 K
2026-10-24 04:17:04,365 INFO - step #71 R -602283.96 -610798.76 -191485.21 200000.00 T= 8220.75 K
2026-10-24 04:17:04,777 INFO - step #72 R -531924.77 -621893.26 -190031.51 280000.00 T= 8071.20 K
2026-10-24 04:17:05,067 INFO - step #73 R -430263.82 -630370.25 -199893.57 400000.00 T= 7971.51 K
2026-10-24 04:17:05,361 INFO - step #74 T -348886.93 -563279.64 -185607.29 400000.00 T= 7871.81 K
2026-10-24 04:17:05,537 INFO - step #75 R -465265.92 -539439.55 -165826.37 240000.00 T= 7821.97 K
2026-10-24 04:17:05,821 INFO - step #76 T -539231.41 -624503.41 -194728.00 280000.00 T= 7722.27 K
2026-10-24 04:17:05,996 INFO - step #77 T -526291.93 -572871.64 -193420.29 240000.00 T= 7672.42 K
2026-10-24 04:17:06,596 INFO - step #78 T -487946.06 -480028.94 -167917.12 160000.00 T= 7423.19 K
2026-10-24 04:17:06,770 INFO - step #79 T -510730.45 -570024.12 -180706.33 240000.00 T= 7373.34 K
2026-10-24 04:17:06,949 INFO - step #80 T -566752.07 -551314.89 -175437.17 160000.00 T= 7323.49 K
2026-10-24 04:17:07,119 INFO - step #81 R -559267.76 -542124.45 -177143.31 160000.00 T= 7273.64 K
2026-10-24 04:17:07,845 INFO - step #82 T -550958.85 -542864.26 -168094.58 160000.00 T= 7223.80 K
2026-10-24 04:17:08,019 INFO - step #83 T -568783.16 -572872.73 -195910.42 200000.00 T= 7173.95 K
2026-10-24 04:17:08,194 INFO - step #84 R -510383.74 -597098.63 -193285.11 280000.00 T= 7124.10 K
2026-10-24 04:17:08,602 INFO - step #85 T -459172.78 -599964.01 -179208.77 320000.00 T= 6974.56 K
2026-10-24 04:17:09,111 INFO - step #86 T -512744.97 -534238.88 -178506.09 200000.00 T= 6775.17 K
2026-10-24 04:17:09,507 INFO - step #87 T -509667.70 -447888.64 -141779.06 80000.00 T= 6625.63 K
2026-10-24 04:17:09,784 INFO - step #88 R -449412.29 -411726.30 -117685.99 80000.00 T= 6525.93 K
2026-10-24 04:17:09,953 INFO - step #89 R -447850.67 -404395.95 -123454.72 80000.00 T= 6476.08 K
2026-10-24 04:17:10,339 INFO - step #90 T -329812.08 -338315.80 -111496.28 120000.00 T= 6326.54 K
2026-10-24 04:17:10,613 INFO - step #91 R -366687.93 -362855.38 -123832.55 120000.00 T= 6226.85 K
2026-10-24 04:17:10,779 INFO - step #92 R -309667.98 -325732.81 -103935.17 120000.00 T= 6177.00 K
2026-10-24 04:17:10,945 INFO - step #93 R -392144.63 -380210.07 -131934.57 120000.00 T= 6127.15 K
2026-10-24 04:17:11,112 INFO - step #94 R -351144.81 -386303.01 -124841.80 160000.00 T= 6077.31 K
2026-10-24 04:17:11,280 INFO - step #95 R -374795.20 -370235.46 -124559.74 120000.00 T= 6027.46 K
2026-10-24 04:17:11,452 INFO - step #96 R -390737.19 -380248.87 -130488.32 120000.00 T= 5977.61 K
2026-10-24 04:17:11,621 INFO - step #97 T -304573.00 -326183.08 -98389.92 120000.00 T= 5927.76 K
2026-10-24 04:17:11,801 INFO - step #98 T -229836.68 -242684.64 -67152.04 80000.00 T= 5877.92 K
2026-10-24 04:17:12,067 INFO - step #99 T -212882.25 -227854.35 -65027.91 80000.00 T= 5778.22 K
2026-10-24 04:17:12,236 INFO - step #100 R -206576.56 -221520.95 -65055.61 80000.00 T= 5728.37 K
2026-10-24 04:17:12,408 INFO - step #101 R -225770.11 -236270.81 -69499.31 80000.00 T= 5678.53 K
2026-10-24 04:17:12,583 INFO - step #102 T -186745.85 -213302.97 -53442.88 80000.00 T= 5628.68 K
2026-10-24 04:17:13,553 INFO - step #103 R -185515.38 -217198.37 -48317.01 80000.00 T= 5528.98 K
2026-10-24 04:17:13,822 INFO - step #104 T -194753.81 -217737.51 -57016.30 80000.00 T= 5429.29 K
2026-10-24 04:17:14,200 INFO - step #105 R -231703.03 -248273.49 -63429.55 80000.00 T= 5279.75 K
2026-10-24 04:17:14,379 INFO - step #106 R -204550.25 -229626.60 -54923.65 80000.00 T= 5229.90 K
2026-10-24 04:17:14,551 INFO - step #107 R -202178.33 -228772.89 -53405.44 80000.00 T= 5180.05 K
2026-10-24 04:17:15,125 INFO - step #108 T -198963.85 -218692.88 -60270.97 80000.00 T= 4930.81 K
2026-10-24 04:17:15,297 INFO - step #109 R -203705.48 -275590.73 -88114.75 160000.00 T= 4880.97 K
2026-10-24 04:17:15,469 INFO - step #110 T -249312.06 -299249.11 -110062.94 160000.00 T= 4831.12 K
2026-10-24 04:17:15,636 INFO - step #111 T -241697.05 -299061.58 -102635.46 160000.00 T= 4781.27 K
2026-10-24 04:17:16,137 INFO - step #112 R -259709.12 -348633.87 -111075.26 200000.00 T= 4581.88 K
2026-10-24 04:17:16,424 INFO - step #113 T -233577.89 -323536.44 -110041.46 200000.00 T= 4482.19 K
2026-10-24 04:17:16,599 INFO - step #114 R -288841.61 -362915.03 -125926.58 200000.00 T= 4432.34 K
2026-10-24 04:17:16,769 INFO - step #115 R -280989.59 -364808.70 -116180.89 200000.00 T= 4382.49 K
2026-10-24 04:17:17,039 INFO - step #116 T -258834.94 -330723.95 -128110.99 200000.00 T= 4282.80 K
2026-10-24 04:17:18,462 INFO - step #117 T -277304.62 -354625.71 -122678.92 200000.00 T= 3684.63 K
2026-10-24 04:17:18,697 INFO - step #118 T -242363.78 -323644.05 -118719.73 200000.00 T= 3634.78 K
2026-10-24 04:17:18,980 INFO - step #119 R -262480.64 -313121.14 -109359.50 160000.00 T= 3535.08 K
2026-10-24 04:17:19,170 INFO - step #120 R -306624.60 -361369.88 -105254.73 160000.00 T= 3485.24 K
2026-10-24 04:17:19,464 INFO - step #121 T -324550.87 -338393.50 -106157.37 120000.00 T= 3385.54 K
2026-10-24 04:17:20,047 INFO - step #122 R -340241.61 -382011.09 -118230.51 160000.00 T= 3136.31 K
2026-10-24 04:17:20,247 INFO - step #123 T -403988.02 -428223.51 -135764.51 160000.00 T= 3086.46 K
2026-10-24 04:17:20,418 INFO - step #124 R -401121.87 -425163.19 -135958.68 160000.00 T= 3036.61 K
2026-10-24 04:17:21,470 INFO - step #125 T -433134.15 -487710.58 -145423.57 200000.00 T= 2587.98 K
2026-10-24 04:17:22,409 INFO - step #126 R -439349.76 -490533.04 -148816.72 200000.00 T= 2189.20 K
2026-10-24 04:17:25,090 INFO - step #127 R -438736.93 -494777.13 -143959.81 200000.00 T= 1391.64 K
2026-10-24 04:17:25,394 INFO - step #128 R -426919.18 -482959.37 -143959.81 200000.00 T= 1291.95 K
2026-10-24 04:17:26,242 INFO - step #129 T -487736.82 -476997.13 -170739.69 160000.00 T= 943.02 K
2026-10-24 04:17:27,650 INFO - step #130 R -487406.54 -476666.85 -170739.69 160000.00 T= 344.85 K
2026-10-24 04:17:29,470 INFO - save short traj
2026-10-24 04:17:29,552 INFO - save best.pdb
2026-10-24 04:17:29,579 INFO - save plot e_step.png
2026-10-24 04:17:30,030 INFO - done