2026-07-06 05:36:08,693 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/85454ebf-9150-4ed5-96f9-8c0a422793d2//ref_struc/prot-na_3525/prot-na_3525.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2026-07-06 05:36:09,480 INFO - step #1 R -239127.28 -705573.74 -213553.54 680000.00 T= 15000.00 K
2026-07-06 05:36:09,663 INFO - step #2 R -125078.81 -659716.92 -225361.88 760000.00 T= 14950.15 K
2026-07-06 05:36:09,846 INFO - step #3 T -123388.09 -639366.04 -204022.04 720000.00 T= 14900.31 K
2026-07-06 05:36:10,147 INFO - step #4 R -125651.51 -641759.19 -203892.32 720000.00 T= 14800.61 K
2026-07-06 05:36:10,328 INFO - step #5 T -112610.88 -571138.04 -181472.84 640000.00 T= 14750.76 K
2026-07-06 05:36:10,573 INFO - step #6 T -82872.12 -657547.59 -225324.53 800000.00 T= 14700.92 K
2026-07-06 05:36:10,757 INFO - step #7 T -361011.91 -625549.11 -215462.80 480000.00 T= 14651.07 K
2026-07-06 05:36:10,940 INFO - step #8 T -396395.55 -625701.11 -210694.44 440000.00 T= 14601.22 K
2026-07-06 05:36:11,360 INFO - step #9 T -354976.49 -655398.55 -219577.93 520000.00 T= 14451.68 K
2026-07-06 05:36:11,538 INFO - step #10 R -388116.78 -660276.69 -207840.08 480000.00 T= 14401.83 K
2026-07-06 05:36:11,714 INFO - step #11 R -392524.30 -682910.18 -189614.12 480000.00 T= 14351.98 K
2026-07-06 05:36:11,892 INFO - step #12 T -409167.97 -688872.81 -200295.16 480000.00 T= 14302.14 K
2026-07-06 05:36:12,281 INFO - step #13 T -406802.48 -692467.84 -194334.64 480000.00 T= 14202.44 K
2026-07-06 05:36:12,464 INFO - step #14 T -363027.04 -712822.16 -210204.88 560000.00 T= 14152.59 K
2026-07-06 05:36:12,773 INFO - step #15 R -420749.94 -716798.19 -223951.75 520000.00 T= 14052.90 K
2026-07-06 05:36:13,202 INFO - step #16 R -651556.29 -754099.64 -217456.65 320000.00 T= 13903.36 K
2026-07-06 05:36:13,388 INFO - step #17 T -582785.72 -662997.16 -199788.55 280000.00 T= 13853.51 K
2026-07-06 05:36:13,810 INFO - step #18 T -586968.56 -644388.01 -182580.55 240000.00 T= 13703.97 K
2026-07-06 05:36:14,126 INFO - step #19 R -628334.76 -672686.38 -195648.39 240000.00 T= 13654.12 K
2026-07-06 05:36:14,304 INFO - step #20 T -606075.18 -674380.79 -211694.39 280000.00 T= 13604.27 K
2026-07-06 05:36:14,478 INFO - step #21 T -403327.29 -552764.00 -170563.28 320000.00 T= 13554.42 K
2026-07-06 05:36:14,652 INFO - step #22 R -371527.28 -532295.45 -159231.83 320000.00 T= 13504.58 K
2026-07-06 05:36:14,826 INFO - step #23 T -564337.51 -562203.71 -162133.80 160000.00 T= 13454.73 K
2026-07-06 05:36:15,000 INFO - step #24 T -468058.33 -595219.82 -152838.51 280000.00 T= 13404.88 K
2026-07-06 05:36:15,175 INFO - step #25 R -452248.07 -578016.34 -154231.73 280000.00 T= 13355.03 K
2026-07-06 05:36:15,528 INFO - step #26 R -456681.69 -577672.31 -159009.38 280000.00 T= 13305.19 K
2026-07-06 05:36:15,920 INFO - step #27 R -417571.13 -682798.64 -214772.48 480000.00 T= 13155.64 K
2026-07-06 05:36:16,099 INFO - step #28 R -682741.39 -723906.15 -198835.24 240000.00 T= 13105.80 K
2026-07-06 05:36:16,507 INFO - step #29 T -635080.58 -717735.93 -197344.65 280000.00 T= 12956.25 K
2026-07-06 05:36:17,019 INFO - step #30 T -705105.74 -705359.34 -199746.40 200000.00 T= 12756.86 K
2026-07-06 05:36:17,195 INFO - step #31 R -670662.88 -647169.92 -183492.96 160000.00 T= 12707.02 K
2026-07-06 05:36:17,516 INFO - step #32 R -670324.50 -646831.54 -183492.96 160000.00 T= 12607.32 K
2026-07-06 05:36:17,694 INFO - step #33 T -394145.88 -549492.52 -164653.36 320000.00 T= 12557.47 K
2026-07-06 05:36:18,109 INFO - step #34 T -427242.80 -601992.63 -185250.17 360000.00 T= 12507.63 K
2026-07-06 05:36:18,409 INFO - step #35 T -544143.69 -550246.48 -153897.21 160000.00 T= 12407.93 K
2026-07-06 05:36:18,587 INFO - step #36 T -562219.49 -519780.87 -162438.62 120000.00 T= 12358.08 K
2026-07-06 05:36:18,884 INFO - step #37 R -572163.56 -530216.52 -161947.04 120000.00 T= 12258.39 K
2026-07-06 05:36:19,065 INFO - step #38 R -577707.84 -540530.07 -157177.77 120000.00 T= 12208.54 K
2026-07-06 05:36:19,248 INFO - step #39 R -609020.75 -555218.96 -173801.79 120000.00 T= 12158.69 K
2026-07-06 05:36:19,992 INFO - step #40 T -598746.49 -612681.41 -186065.08 200000.00 T= 11859.61 K
2026-07-06 05:36:20,285 INFO - step #41 T -382005.55 -534427.75 -167577.81 320000.00 T= 11759.92 K
2026-07-06 05:36:20,583 INFO - step #42 T -338220.98 -458217.89 -160003.09 280000.00 T= 11660.22 K
2026-07-06 05:36:21,147 INFO - step #43 R -335772.19 -455512.56 -160259.63 280000.00 T= 11560.53 K
2026-07-06 05:36:21,320 INFO - step #44 R -406437.64 -475916.18 -170521.46 240000.00 T= 11510.68 K
2026-07-06 05:36:21,614 INFO - step #45 T -404651.63 -520121.78 -164529.85 280000.00 T= 11410.98 K
2026-07-06 05:36:21,790 INFO - step #46 T -545984.83 -573388.36 -172596.47 200000.00 T= 11361.14 K
2026-07-06 05:36:21,965 INFO - step #47 T -550072.84 -581141.43 -168931.41 200000.00 T= 11311.29 K
2026-07-06 05:36:22,146 INFO - step #48 T -664418.39 -678795.95 -185622.44 200000.00 T= 11261.44 K
2026-07-06 05:36:22,913 INFO - step #49 R -663814.12 -681629.01 -182185.12 200000.00 T= 10962.36 K
2026-07-06 05:36:24,011 INFO - step #50 T -560190.85 -627552.11 -172638.74 240000.00 T= 10513.73 K
2026-07-06 05:36:24,191 INFO - step #51 T -578394.76 -646560.27 -171834.50 240000.00 T= 10463.88 K
2026-07-06 05:36:24,836 INFO - step #52 R -581047.86 -649213.36 -171834.50 240000.00 T= 10214.64 K
2026-07-06 05:36:25,132 INFO - step #53 T -553073.23 -609787.50 -143285.72 200000.00 T= 10114.95 K
2026-07-06 05:36:25,805 INFO - step #54 T -615089.82 -564632.67 -170457.15 120000.00 T= 10015.25 K
2026-07-06 05:36:26,429 INFO - step #55 R -582232.87 -562948.66 -179284.21 160000.00 T= 9766.02 K
2026-07-06 05:36:26,840 INFO - step #56 R -578367.78 -560994.68 -177373.09 160000.00 T= 9616.47 K
2026-07-06 05:36:27,347 INFO - step #57 T -647612.65 -628440.08 -179172.57 160000.00 T= 9417.08 K
2026-07-06 05:36:27,530 INFO - step #58 R -493853.03 -679694.18 -174158.86 360000.00 T= 9367.24 K
2026-07-06 05:36:27,713 INFO - step #59 T -444601.61 -633663.23 -170938.37 360000.00 T= 9317.39 K
2026-07-06 05:36:28,015 INFO - step #60 T -552168.77 -545061.10 -167107.67 160000.00 T= 9217.69 K
2026-07-06 05:36:29,558 INFO - step #61 T -522061.07 -528063.13 -153997.94 160000.00 T= 8569.68 K
2026-07-06 05:36:29,968 INFO - step #62 R -551066.32 -535841.49 -175224.83 160000.00 T= 8420.14 K
2026-07-06 05:36:30,266 INFO - step #63 R -552074.91 -532791.83 -179283.08 160000.00 T= 8320.44 K
2026-07-06 05:36:30,803 INFO - step #64 T -322827.51 -479500.39 -163327.12 320000.00 T= 8121.05 K
2026-07-06 05:36:30,987 INFO - step #65 R -263885.42 -470378.32 -153507.11 360000.00 T= 8071.20 K
2026-07-06 05:36:31,502 INFO - step #66 R -296474.30 -467523.45 -148950.85 320000.00 T= 7871.81 K
2026-07-06 05:36:31,683 INFO - step #67 R -424024.90 -496677.50 -127347.40 200000.00 T= 7821.97 K
2026-07-06 05:36:34,179 INFO - step #68 T -262032.15 -487859.73 -134172.42 360000.00 T= 6974.56 K
2026-07-06 05:36:34,357 INFO - step #69 R -216516.92 -526325.62 -170191.30 480000.00 T= 6924.71 K
2026-07-06 05:36:34,535 INFO - step #70 R -191876.96 -505216.78 -166660.18 480000.00 T= 6874.86 K
2026-07-06 05:36:34,708 INFO - step #71 R -266765.07 -436487.77 -150277.30 320000.00 T= 6825.02 K
2026-07-06 05:36:34,884 INFO - step #72 T -431858.45 -571693.18 -180165.27 320000.00 T= 6775.17 K
2026-07-06 05:36:35,167 INFO - step #73 T -613908.82 -641126.68 -172782.15 200000.00 T= 6675.47 K
2026-07-06 05:36:36,209 INFO - step #74 T -579457.31 -565646.97 -173810.34 160000.00 T= 6226.85 K
2026-07-06 05:36:36,702 INFO - step #75 T -578319.48 -616494.06 -161825.41 200000.00 T= 6027.46 K
2026-07-06 05:36:36,984 INFO - step #76 R -414466.22 -665617.08 -188849.14 440000.00 T= 5927.76 K
2026-07-06 05:36:37,485 INFO - step #77 R -360322.49 -626399.45 -173923.04 440000.00 T= 5728.37 K
2026-07-06 05:36:37,660 INFO - step #78 R -545737.72 -586182.21 -159555.51 200000.00 T= 5678.53 K
2026-07-06 05:36:38,276 INFO - step #79 T -381948.88 -505497.52 -156451.36 280000.00 T= 5429.29 K
2026-07-06 05:36:38,561 INFO - step #80 T -483569.47 -460702.00 -142867.47 120000.00 T= 5329.59 K
2026-07-06 05:36:38,739 INFO - step #81 R -501648.25 -475838.16 -145810.09 120000.00 T= 5279.75 K
2026-07-06 05:36:38,912 INFO - step #82 T -449815.39 -435429.37 -134386.02 120000.00 T= 5229.90 K
2026-07-06 05:36:39,194 INFO - step #83 R -446877.93 -433711.79 -133166.13 120000.00 T= 5130.20 K
2026-07-06 05:36:39,711 INFO - step #84 T -503535.12 -485359.00 -138176.12 120000.00 T= 4930.81 K
2026-07-06 05:36:40,561 INFO - step #85 R -530785.62 -459771.34 -151014.28 80000.00 T= 4831.12 K
2026-07-06 05:36:40,847 INFO - step #86 T -445029.96 -434738.21 -130291.74 120000.00 T= 4731.42 K
2026-07-06 05:36:41,021 INFO - step #87 R -452470.76 -444820.59 -127650.18 120000.00 T= 4681.58 K
2026-07-06 05:36:41,517 INFO - step #88 T -456227.76 -379197.85 -117029.92 40000.00 T= 4482.19 K
2026-07-06 05:36:41,695 INFO - step #89 T -479684.09 -372508.46 -107175.63 0.00 T= 4432.34 K
2026-07-06 05:36:41,873 INFO - step #90 T -460955.66 -406559.80 -134395.86 80000.00 T= 4382.49 K
2026-07-06 05:36:42,167 INFO - step #91 R -469978.51 -416722.85 -133255.65 80000.00 T= 4282.80 K
2026-07-06 05:36:42,342 INFO - step #92 R -446810.57 -441050.29 -125760.28 120000.00 T= 4232.95 K
2026-07-06 05:36:42,629 INFO - step #93 T -427191.67 -452754.59 -134437.07 160000.00 T= 4133.25 K
2026-07-06 05:36:43,142 INFO - step #94 R -427594.66 -450190.85 -137403.81 160000.00 T= 3933.86 K
2026-07-06 05:36:43,330 INFO - step #95 T -502597.33 -499760.91 -162836.42 160000.00 T= 3884.02 K
2026-07-06 05:36:43,647 INFO - step #96 R -533037.88 -503600.06 -149437.81 120000.00 T= 3784.32 K
2026-07-06 05:36:44,383 INFO - step #97 T -592931.36 -543339.95 -169591.42 120000.00 T= 3485.24 K
2026-07-06 05:36:45,981 INFO - step #98 R -599880.46 -550289.04 -169591.42 120000.00 T= 2787.37 K
2026-07-06 05:36:47,199 INFO - step #99 T -588743.02 -569606.29 -179136.73 160000.00 T= 2288.90 K
2026-07-06 05:36:47,395 INFO - step #100 R -605870.66 -596475.57 -169395.09 160000.00 T= 2239.05 K
2026-07-06 05:36:47,577 INFO - step #101 T -504251.84 -635860.16 -188391.68 320000.00 T= 2189.20 K
2026-07-06 05:36:50,614 INFO - step #102 R -513580.06 -547002.23 -166577.82 200000.00 T= 893.17 K
2026-07-06 05:36:50,902 INFO - step #103 R -513666.66 -543738.19 -169928.47 200000.00 T= 793.47 K
2026-07-06 05:36:51,114 INFO - step #104 R -549407.43 -591163.50 -158243.94 200000.00 T= 743.63 K
2026-07-06 05:36:52,856 INFO - step #105 T -578545.15 -621355.79 -157189.36 200000.00 T= 344.85 K
2026-07-06 05:36:54,316 INFO - save short traj
2026-07-06 05:36:54,393 INFO - save best.pdb
2026-07-06 05:36:54,419 INFO - save plot e_step.png
2026-07-06 05:36:54,864 INFO - done
2026-07-06 05:36:55,881 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/85454ebf-9150-4ed5-96f9-8c0a422793d2//ref_struc/prot-na_3525/prot-na_3525.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2026-07-06 05:36:56,659 INFO - step #1 T -156998.05 -606292.29 -190705.77 640000.00 T= 15000.00 K
2026-07-06 05:36:56,839 INFO - step #2 R -331691.76 -643375.30 -208316.46 520000.00 T= 14950.15 K
2026-07-06 05:36:57,242 INFO - step #3 T -335183.41 -642823.27 -212360.14 520000.00 T= 14800.61 K
2026-07-06 05:36:57,428 INFO - step #4 T -364746.87 -665910.81 -218836.06 520000.00 T= 14750.76 K
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2026-07-06 05:36:57,958 INFO - step #6 T -209852.53 -609176.87 -200675.66 600000.00 T= 14601.22 K
2026-07-06 05:36:58,240 INFO - step #7 R -388539.68 -677434.25 -231105.43 520000.00 T= 14501.53 K
2026-07-06 05:36:58,639 INFO - step #8 R -392689.44 -681613.23 -231076.21 520000.00 T= 14351.98 K
2026-07-06 05:36:58,818 INFO - step #9 R -404947.90 -631171.17 -213776.73 440000.00 T= 14302.14 K
2026-07-06 05:36:58,994 INFO - step #10 T -402105.23 -597987.12 -204118.12 400000.00 T= 14252.29 K
2026-07-06 05:36:59,173 INFO - step #11 R -573134.98 -650604.03 -202530.95 280000.00 T= 14202.44 K
2026-07-06 05:36:59,350 INFO - step #12 R -651372.00 -652313.71 -199058.29 200000.00 T= 14152.59 K
2026-07-06 05:36:59,632 INFO - step #13 R -625683.62 -631639.34 -194044.28 200000.00 T= 14102.75 K
2026-07-06 05:36:59,808 INFO - step #14 R -549361.93 -646634.99 -182726.94 280000.00 T= 14052.90 K
2026-07-06 05:36:59,985 INFO - step #15 R -546828.07 -643914.00 -182914.07 280000.00 T= 14003.05 K
2026-07-06 05:37:00,154 INFO - step #16 T -672363.74 -613593.74 -178770.00 120000.00 T= 13953.20 K
2026-07-06 05:37:00,544 INFO - step #17 T -669526.73 -563479.40 -186047.33 80000.00 T= 13803.66 K
2026-07-06 05:37:00,717 INFO - step #18 R -660345.09 -551421.94 -188923.14 80000.00 T= 13753.81 K
2026-07-06 05:37:01,024 INFO - step #19 R -583124.34 -530442.65 -172681.68 120000.00 T= 13703.97 K
2026-07-06 05:37:01,197 INFO - step #20 T -645914.68 -592113.65 -173801.03 120000.00 T= 13654.12 K
2026-07-06 05:37:01,487 INFO - step #21 R -625752.61 -570040.01 -175712.60 120000.00 T= 13554.42 K
2026-07-06 05:37:01,668 INFO - step #22 R -646182.30 -590989.41 -175192.89 120000.00 T= 13504.58 K
2026-07-06 05:37:01,851 INFO - step #23 T -616150.79 -607544.43 -168606.36 160000.00 T= 13454.73 K
2026-07-06 05:37:02,032 INFO - step #24 R -546935.13 -550412.96 -156522.17 160000.00 T= 13404.88 K
2026-07-06 05:37:02,211 INFO - step #25 R -553486.75 -553976.20 -159510.55 160000.00 T= 13355.03 K
2026-07-06 05:37:02,567 INFO - step #26 T -494604.95 -542947.71 -151657.23 200000.00 T= 13305.19 K
2026-07-06 05:37:02,742 INFO - step #27 T -573527.61 -490728.48 -162799.14 80000.00 T= 13255.34 K
2026-07-06 05:37:03,556 INFO - step #28 T -514466.25 -515652.12 -158814.13 160000.00 T= 12906.41 K
2026-07-06 05:37:03,732 INFO - step #29 T -555825.27 -520023.12 -155802.15 120000.00 T= 12856.56 K
2026-07-06 05:37:03,901 INFO - step #30 T -586163.80 -507460.58 -158703.23 80000.00 T= 12806.71 K
2026-07-06 05:37:04,274 INFO - step #31 R -602548.94 -518638.11 -163910.83 80000.00 T= 12657.17 K
2026-07-06 05:37:04,452 INFO - step #32 R -617390.20 -532175.78 -165214.43 80000.00 T= 12607.32 K
2026-07-06 05:37:04,963 INFO - step #33 R -521661.39 -458139.39 -143522.00 80000.00 T= 12507.63 K
2026-07-06 05:37:05,345 INFO - step #34 R -529955.21 -462968.75 -146986.46 80000.00 T= 12358.08 K
2026-07-06 05:37:05,624 INFO - step #35 R -586163.80 -507460.58 -158703.23 80000.00 T= 12258.39 K
2026-07-06 05:37:06,334 INFO - step #36 R -582128.39 -503425.16 -158703.23 80000.00 T= 11959.31 K
2026-07-06 05:37:06,622 INFO - step #37 T -624565.96 -540842.32 -163723.64 80000.00 T= 11859.61 K
2026-07-06 05:37:06,802 INFO - step #38 R -528594.32 -490872.49 -157721.82 120000.00 T= 11809.76 K
2026-07-06 05:37:06,976 INFO - step #39 R -667480.19 -559201.87 -188278.32 80000.00 T= 11759.92 K
2026-07-06 05:37:07,153 INFO - step #40 T -676860.79 -609065.00 -187795.79 120000.00 T= 11710.07 K
2026-07-06 05:37:07,329 INFO - step #41 R -512612.06 -624054.51 -208557.55 320000.00 T= 11660.22 K
2026-07-06 05:37:08,122 INFO - step #42 T -452291.94 -582062.49 -190229.45 320000.00 T= 11460.83 K
2026-07-06 05:37:08,305 INFO - step #43 T -457177.94 -580943.07 -196234.87 320000.00 T= 11410.98 K
2026-07-06 05:37:08,485 INFO - step #44 T -682633.74 -641189.28 -201444.46 160000.00 T= 11361.14 K
2026-07-06 05:37:09,216 INFO - step #45 R -709896.42 -669652.57 -200243.85 160000.00 T= 11062.05 K
2026-07-06 05:37:09,758 INFO - step #46 T -466202.97 -764786.98 -221416.00 520000.00 T= 10862.66 K
2026-07-06 05:37:09,941 INFO - step #47 T -342914.71 -679708.73 -183205.98 520000.00 T= 10812.81 K
2026-07-06 05:37:10,116 INFO - step #48 T -304386.78 -567691.80 -176694.98 440000.00 T= 10762.97 K
2026-07-06 05:37:10,291 INFO - step #49 R -468504.30 -570551.08 -177953.22 280000.00 T= 10713.12 K
2026-07-06 05:37:10,709 INFO - step #50 R -617588.70 -674744.41 -182844.28 240000.00 T= 10563.58 K
2026-07-06 05:37:12,392 INFO - step #51 T -599741.10 -626728.71 -173012.39 200000.00 T= 9865.71 K
2026-07-06 05:37:13,532 INFO - step #52 R -596451.58 -632500.28 -163951.31 200000.00 T= 9566.63 K
2026-07-06 05:37:13,716 INFO - step #53 R -578946.11 -630106.52 -148839.59 200000.00 T= 9516.78 K
2026-07-06 05:37:14,240 INFO - step #54 T -558621.60 -589712.69 -168908.91 200000.00 T= 9317.39 K
2026-07-06 05:37:14,422 INFO - step #55 T -423242.26 -521585.24 -141657.02 240000.00 T= 9267.54 K
2026-07-06 05:37:15,057 INFO - step #56 R -423285.07 -521628.05 -141657.02 240000.00 T= 9018.31 K
2026-07-06 05:37:15,235 INFO - step #57 T -539882.61 -542288.48 -157594.12 160000.00 T= 8968.46 K
2026-07-06 05:37:17,225 INFO - step #58 T -451412.45 -472736.37 -138676.09 160000.00 T= 8121.05 K
2026-07-06 05:37:17,402 INFO - step #59 T -283354.02 -465475.70 -137878.32 320000.00 T= 8071.20 K
2026-07-06 05:37:17,581 INFO - step #60 T -460237.77 -522090.38 -138147.39 200000.00 T= 8021.36 K
2026-07-06 05:37:17,872 INFO - step #61 T -353321.02 -501451.26 -131869.76 280000.00 T= 7921.66 K
2026-07-06 05:37:18,172 INFO - step #62 T -448098.26 -476022.80 -132075.46 160000.00 T= 7821.97 K
2026-07-06 05:37:18,350 INFO - step #63 R -397662.59 -427170.29 -130492.30 160000.00 T= 7772.12 K
2026-07-06 05:37:18,531 INFO - step #64 T -379657.45 -414665.66 -124991.79 160000.00 T= 7722.27 K
2026-07-06 05:37:18,710 INFO - step #65 R -431387.07 -491471.97 -139915.10 200000.00 T= 7672.42 K
2026-07-06 05:37:19,331 INFO - step #66 R -405416.16 -470471.34 -134944.82 200000.00 T= 7622.58 K
2026-07-06 05:37:19,630 INFO - step #67 T -273889.23 -496966.70 -136922.54 360000.00 T= 7522.88 K
2026-07-06 05:37:19,842 INFO - step #68 R -268244.04 -492895.70 -135348.33 360000.00 T= 7473.03 K
2026-07-06 05:37:20,021 INFO - step #69 R -277712.16 -494020.98 -143691.19 360000.00 T= 7423.19 K
2026-07-06 05:37:20,200 INFO - step #70 R -485306.08 -494507.25 -150798.83 160000.00 T= 7373.34 K
2026-07-06 05:37:20,600 INFO - step #71 R -443667.83 -422170.92 -141496.91 120000.00 T= 7223.80 K
2026-07-06 05:37:20,891 INFO - step #72 R -483207.25 -455817.37 -147389.89 120000.00 T= 7124.10 K
2026-07-06 05:37:21,062 INFO - step #73 R -556443.66 -512356.15 -164087.51 120000.00 T= 7074.25 K
2026-07-06 05:37:21,569 INFO - step #74 R -567797.99 -527130.86 -160667.13 120000.00 T= 6874.86 K
2026-07-06 05:37:21,746 INFO - step #75 R -544683.64 -513604.19 -151079.45 120000.00 T= 6825.02 K
2026-07-06 05:37:22,031 INFO - step #76 T -512528.54 -444239.57 -148288.97 80000.00 T= 6725.32 K
2026-07-06 05:37:22,528 INFO - step #77 R -504594.49 -436220.15 -148374.34 80000.00 T= 6525.93 K
2026-07-06 05:37:22,903 INFO - step #78 T -331878.89 -338671.35 -113207.54 120000.00 T= 6376.39 K
2026-07-06 05:37:23,071 INFO - step #79 R -405072.87 -398061.26 -127011.61 120000.00 T= 6326.54 K
2026-07-06 05:37:23,247 INFO - step #80 R -464690.50 -446290.90 -138399.60 120000.00 T= 6276.69 K
2026-07-06 05:37:23,636 INFO - step #81 R -464920.66 -445033.37 -139887.29 120000.00 T= 6127.15 K
2026-07-06 05:37:24,836 INFO - step #82 T -448186.19 -468808.65 -139377.54 160000.00 T= 5877.92 K
2026-07-06 05:37:25,017 INFO - step #83 T -419941.21 -453338.94 -126602.27 160000.00 T= 5828.07 K
2026-07-06 05:37:25,198 INFO - step #84 R -408462.12 -436296.15 -132165.97 160000.00 T= 5778.22 K
2026-07-06 05:37:25,376 INFO - step #85 R -478174.37 -441048.15 -117126.22 80000.00 T= 5728.37 K
2026-07-06 05:37:25,774 INFO - step #86 R -478288.30 -441162.08 -117126.22 80000.00 T= 5578.83 K
2026-07-06 05:37:25,949 INFO - step #87 R -418094.74 -445928.77 -132165.97 160000.00 T= 5528.98 K
2026-07-06 05:37:26,338 INFO - step #88 R -426402.52 -451636.73 -134765.79 160000.00 T= 5379.44 K
2026-07-06 05:37:26,523 INFO - step #89 T -521681.18 -492288.33 -149392.85 120000.00 T= 5329.59 K
2026-07-06 05:37:27,015 INFO - step #90 R -474470.23 -456267.77 -138202.45 120000.00 T= 5130.20 K
2026-07-06 05:37:27,505 INFO - step #91 T -368579.63 -374955.56 -113624.07 120000.00 T= 4930.81 K
2026-07-06 05:37:27,787 INFO - step #92 R -436817.32 -461185.79 -135631.53 160000.00 T= 4831.12 K
2026-07-06 05:37:28,528 INFO - step #93 T -430110.51 -453933.59 -136176.92 160000.00 T= 4532.03 K
2026-07-06 05:37:28,817 INFO - step #94 T -435560.34 -418193.46 -137366.88 120000.00 T= 4432.34 K
2026-07-06 05:37:29,307 INFO - step #95 R -441436.28 -387016.71 -134419.57 80000.00 T= 4232.95 K
2026-07-06 05:37:30,008 INFO - step #96 T -475574.75 -451152.02 -144422.73 120000.00 T= 3933.86 K
2026-07-06 05:37:30,397 INFO - step #97 R -463222.79 -443577.09 -139645.70 120000.00 T= 3784.32 K
2026-07-06 05:37:30,584 INFO - step #98 R -429525.11 -420056.37 -129468.75 120000.00 T= 3734.47 K
2026-07-06 05:37:30,862 INFO - step #99 R -525722.25 -421357.35 -144364.91 40000.00 T= 3634.78 K
2026-07-06 05:37:31,244 INFO - step #100 R -527664.17 -423299.26 -144364.91 40000.00 T= 3485.24 K
2026-07-06 05:37:33,327 INFO - step #101 R -525769.95 -421480.64 -144289.30 40000.00 T= 2538.14 K
2026-07-06 05:37:34,421 INFO - step #102 R -515857.04 -413446.52 -142410.52 40000.00 T= 2388.59 K
2026-07-06 05:37:34,821 INFO - step #103 R -523501.22 -416988.99 -146512.24 40000.00 T= 2239.05 K
2026-07-06 05:37:35,323 INFO - step #104 R -542526.96 -430157.89 -152369.08 40000.00 T= 2039.66 K
2026-07-06 05:37:40,399 INFO - save short traj
2026-07-06 05:37:40,487 INFO - save best.pdb
2026-07-06 05:37:40,512 INFO - save plot e_step.png
2026-07-06 05:37:40,947 INFO - done