2026-10-24 04:13:11,970 INFO - 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
    
2026-10-24 04:13:12,993 INFO - step #1 R 151950.14 -757242.09 -170807.77 1080000.00 T= 14950.15 K
2026-10-24 04:13:13,269 INFO - step #2 T 53949.45 -733635.27 -172415.28 960000.00 T= 14850.46 K
2026-10-24 04:13:13,541 INFO - step #3 T -320207.51 -670223.10 -169984.41 520000.00 T= 14750.76 K
2026-10-24 04:13:13,728 INFO - step #4 T -208481.06 -567920.65 -160560.40 520000.00 T= 14700.92 K
2026-10-24 04:13:13,904 INFO - step #5 T -159624.24 -535547.01 -144077.23 520000.00 T= 14651.07 K
2026-10-24 04:13:14,131 INFO - step #6 T -304697.30 -542816.49 -161880.81 400000.00 T= 14601.22 K
2026-10-24 04:13:14,299 INFO - step #7 T -398291.49 -515138.00 -163153.49 280000.00 T= 14551.37 K
2026-10-24 04:13:14,561 INFO - step #8 T -653424.50 -608501.41 -164923.10 120000.00 T= 14451.68 K
2026-10-24 04:13:14,727 INFO - step #9 R -620770.20 -611942.19 -168828.01 160000.00 T= 14401.83 K
2026-10-24 04:13:14,889 INFO - step #10 T -599316.51 -634307.86 -165008.65 200000.00 T= 14351.98 K
2026-10-24 04:13:15,263 INFO - step #11 T -530992.27 -533771.06 -157221.21 160000.00 T= 14202.44 K
2026-10-24 04:13:15,424 INFO - step #12 T -423290.98 -506985.18 -156305.80 240000.00 T= 14152.59 K
2026-10-24 04:13:15,678 INFO - step #13 T -520262.76 -528536.46 -151726.30 160000.00 T= 14102.75 K
2026-10-24 04:13:16,041 INFO - step #14 T -648119.58 -603774.06 -164345.51 120000.00 T= 13953.20 K
2026-10-24 04:13:16,843 INFO - step #15 R -663734.73 -641902.32 -181832.40 160000.00 T= 13604.27 K
2026-10-24 04:13:17,126 INFO - step #16 T -307664.75 -607575.97 -140088.78 440000.00 T= 13504.58 K
2026-10-24 04:13:17,291 INFO - step #17 R -469880.80 -612649.68 -137231.12 280000.00 T= 13454.73 K
2026-10-24 04:13:17,560 INFO - step #18 T -426325.78 -624914.36 -161411.42 360000.00 T= 13355.03 K
2026-10-24 04:13:18,181 INFO - step #19 R -620665.73 -615335.33 -165330.40 160000.00 T= 13155.64 K
2026-10-24 04:13:18,551 INFO - step #20 R -630937.09 -626776.09 -164161.00 160000.00 T= 13006.10 K
2026-10-24 04:13:18,725 INFO - step #21 T -660532.34 -609709.09 -170823.25 120000.00 T= 12956.25 K
2026-10-24 04:13:18,888 INFO - step #22 T -695503.97 -598781.42 -176722.56 80000.00 T= 12906.41 K
2026-10-24 04:13:19,587 INFO - step #23 R -702823.17 -604590.34 -178232.83 80000.00 T= 12607.32 K
2026-10-24 04:13:20,271 INFO - step #24 R -625611.32 -580736.88 -164874.44 120000.00 T= 12308.24 K
2026-10-24 04:13:20,608 INFO - step #25 R -725947.47 -618945.96 -187001.51 80000.00 T= 12258.39 K
2026-10-24 04:13:21,520 INFO - step #26 T -652827.98 -599102.88 -173725.09 120000.00 T= 11859.61 K
2026-10-24 04:13:22,308 INFO - step #27 T -647304.11 -594681.70 -172622.41 120000.00 T= 11510.68 K
2026-10-24 04:13:22,886 INFO - step #28 R -658386.40 -606266.22 -172120.18 120000.00 T= 11261.44 K
2026-10-24 04:13:23,158 INFO - step #29 R -572724.16 -560351.47 -172372.69 160000.00 T= 11161.75 K
2026-10-24 04:13:23,433 INFO - step #30 R -527313.49 -531387.20 -155926.29 160000.00 T= 11062.05 K
2026-10-24 04:13:24,006 INFO - step #31 T -532202.93 -535534.21 -156668.72 160000.00 T= 10812.81 K
2026-10-24 04:13:24,383 INFO - step #32 R -535555.96 -538142.47 -157413.49 160000.00 T= 10762.97 K
2026-10-24 04:13:24,544 INFO - step #33 T -512326.51 -559600.80 -152725.70 200000.00 T= 10713.12 K
2026-10-24 04:13:24,709 INFO - step #34 T -286668.31 -623579.90 -183088.41 520000.00 T= 10663.27 K
2026-10-24 04:13:24,874 INFO - step #35 R -299096.10 -551611.77 -147484.33 400000.00 T= 10613.42 K
2026-10-24 04:13:25,062 INFO - step #36 T -566747.17 -566538.00 -160209.16 160000.00 T= 10563.58 K
2026-10-24 04:13:25,837 INFO - step #37 T -552271.11 -558175.35 -154095.76 160000.00 T= 10214.64 K
2026-10-24 04:13:26,209 INFO - step #38 R -549437.41 -562422.68 -147014.73 160000.00 T= 10065.10 K
2026-10-24 04:13:26,791 INFO - step #39 T -517631.03 -558990.80 -158640.22 200000.00 T= 9815.86 K
2026-10-24 04:13:27,548 INFO - step #40 R -529993.21 -570306.49 -159686.72 200000.00 T= 9616.47 K
2026-10-24 04:13:27,825 INFO - step #41 R -519138.20 -569976.32 -149161.88 200000.00 T= 9516.78 K
2026-10-24 04:13:27,993 INFO - step #42 T -441842.86 -539944.90 -141897.96 240000.00 T= 9466.93 K
2026-10-24 04:13:28,268 INFO - step #43 T -447248.60 -610571.72 -156676.88 320000.00 T= 9367.24 K
2026-10-24 04:13:29,074 INFO - step #44 R -412015.83 -575240.48 -156775.35 320000.00 T= 9018.31 K
2026-10-24 04:13:29,667 INFO - step #45 T -221682.48 -521042.73 -140639.75 440000.00 T= 8769.07 K
2026-10-24 04:13:29,831 INFO - step #46 R -238586.22 -537974.84 -140611.39 440000.00 T= 8719.22 K
2026-10-24 04:13:30,101 INFO - step #47 R -285310.80 -516246.75 -169064.05 400000.00 T= 8619.53 K
2026-10-24 04:13:30,266 INFO - step #48 R -534907.60 -526797.91 -168109.69 160000.00 T= 8569.68 K
2026-10-24 04:13:30,441 INFO - step #49 R -509735.59 -538049.23 -171686.36 200000.00 T= 8519.83 K
2026-10-24 04:13:30,709 INFO - step #50 R -514944.14 -541865.89 -173078.25 200000.00 T= 8420.14 K
2026-10-24 04:13:31,437 INFO - step #51 T -535050.38 -560853.34 -174197.04 200000.00 T= 8270.59 K
2026-10-24 04:13:33,297 INFO - step #52 T -354761.66 -569424.12 -185337.54 400000.00 T= 7423.19 K
2026-10-24 04:13:33,463 INFO - step #53 T -546939.20 -535492.68 -171446.52 160000.00 T= 7373.34 K
2026-10-24 04:13:33,830 INFO - step #54 R -553778.24 -540811.32 -172966.92 160000.00 T= 7223.80 K
2026-10-24 04:13:34,614 INFO - step #55 T -392455.77 -465421.82 -127033.95 200000.00 T= 6874.86 K
2026-10-24 04:13:34,780 INFO - step #56 R -539933.51 -504110.38 -155823.13 120000.00 T= 6825.02 K
2026-10-24 04:13:34,942 INFO - step #57 R -539980.47 -497846.83 -162133.64 120000.00 T= 6775.17 K
2026-10-24 04:13:35,104 INFO - step #58 R -529445.82 -487844.35 -161601.47 120000.00 T= 6725.32 K
2026-10-24 04:13:35,793 INFO - step #59 R -509452.07 -472857.78 -156594.30 120000.00 T= 6426.24 K
2026-10-24 04:13:36,752 INFO - step #60 T -277596.64 -421978.27 -135618.38 280000.00 T= 5977.61 K
2026-10-24 04:13:36,915 INFO - step #61 R -283415.74 -425695.39 -137720.36 280000.00 T= 5927.76 K
2026-10-24 04:13:37,106 INFO - step #62 T -194717.99 -395682.87 -119035.12 320000.00 T= 5877.92 K
2026-10-24 04:13:37,268 INFO - step #63 R -171187.15 -376844.51 -114342.64 320000.00 T= 5828.07 K
2026-10-24 04:13:37,859 INFO - step #64 T -186840.24 -384397.17 -122443.07 320000.00 T= 5778.22 K
2026-10-24 04:13:38,040 INFO - step #65 T -230763.43 -425848.17 -124915.26 320000.00 T= 5728.37 K
2026-10-24 04:13:38,203 INFO - step #66 R -235369.10 -425633.28 -129735.81 320000.00 T= 5678.53 K
2026-10-24 04:13:38,364 INFO - step #67 R -70429.47 -423994.47 -126434.99 480000.00 T= 5628.68 K
2026-10-24 04:13:38,536 INFO - step #68 R -116781.39 -418002.30 -138779.09 440000.00 T= 5578.83 K
2026-10-24 04:13:38,695 INFO - step #69 R -106967.93 -412430.74 -134537.19 440000.00 T= 5528.98 K
2026-10-24 04:13:38,960 INFO - step #70 T -229183.87 -383446.45 -125737.42 280000.00 T= 5429.29 K
2026-10-24 04:13:39,327 INFO - step #71 R -311179.99 -439479.14 -151700.86 280000.00 T= 5279.75 K
2026-10-24 04:13:39,792 INFO - step #72 T -344438.47 -464518.30 -159920.17 280000.00 T= 5080.36 K
2026-10-24 04:13:39,954 INFO - step #73 T -441801.24 -421963.91 -139837.33 120000.00 T= 5030.51 K
2026-10-24 04:13:40,428 INFO - step #74 R -484927.37 -454567.31 -150360.06 120000.00 T= 4831.12 K
2026-10-24 04:13:40,588 INFO - step #75 R -485864.41 -455453.14 -150411.28 120000.00 T= 4781.27 K
2026-10-24 04:13:40,946 INFO - step #76 T -517384.11 -480246.59 -157137.52 120000.00 T= 4631.73 K
2026-10-24 04:13:41,520 INFO - step #77 R -489432.92 -454098.93 -155333.99 120000.00 T= 4382.49 K
2026-10-24 04:13:42,080 INFO - step #78 R -512885.75 -475950.61 -156935.14 120000.00 T= 4133.25 K
2026-10-24 04:13:42,447 INFO - step #79 T -476135.91 -454440.01 -141695.90 120000.00 T= 3983.71 K
2026-10-24 04:13:43,259 INFO - step #80 R -478742.28 -453472.78 -145269.50 120000.00 T= 3884.02 K
2026-10-24 04:13:44,035 INFO - step #81 R -497917.36 -463750.21 -154167.16 120000.00 T= 3535.08 K
2026-10-24 04:13:44,503 INFO - step #82 R -486820.22 -456493.47 -150326.75 120000.00 T= 3335.69 K
2026-10-24 04:13:44,866 INFO - step #83 T -488255.43 -459337.53 -148917.90 120000.00 T= 3186.15 K
2026-10-24 04:13:45,130 INFO - step #84 R -510397.55 -484929.61 -145467.94 120000.00 T= 3086.46 K
2026-10-24 04:13:45,499 INFO - step #85 T -553106.42 -504873.16 -168233.26 120000.00 T= 2936.92 K
2026-10-24 04:13:45,762 INFO - step #86 R -524872.41 -483206.78 -161665.63 120000.00 T= 2837.22 K
2026-10-24 04:13:46,126 INFO - step #87 R -542757.61 -498517.83 -164239.78 120000.00 T= 2687.68 K
2026-10-24 04:13:46,488 INFO - step #88 R -546875.58 -501154.95 -165720.63 120000.00 T= 2538.14 K
2026-10-24 04:13:48,277 INFO - step #89 R -575281.29 -520747.13 -174534.16 120000.00 T= 1690.73 K
2026-10-24 04:13:49,349 INFO - step #90 R -576081.03 -524296.77 -171784.26 120000.00 T= 1192.25 K
2026-10-24 04:13:52,316 INFO - save short traj
2026-10-24 04:13:52,392 INFO - save best.pdb
2026-10-24 04:13:52,415 INFO - save plot e_step.png
2026-10-24 04:13:52,820 INFO - done
2026-10-24 04:13:53,740 INFO - 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
    
2026-10-24 04:13:54,484 INFO - step #1 T 28770.96 -763355.64 -207873.40 1000000.00 T= 15000.00 K
2026-10-24 04:13:54,654 INFO - step #2 T -98683.43 -792288.73 -186394.70 880000.00 T= 14950.15 K
2026-10-24 04:13:54,940 INFO - step #3 T -136135.10 -832256.68 -183878.42 880000.00 T= 14850.46 K
2026-10-24 04:13:55,352 INFO - step #4 R -237800.49 -821577.79 -216222.70 800000.00 T= 14700.92 K
2026-10-24 04:13:55,637 INFO - step #5 T -326852.55 -730772.58 -196079.97 600000.00 T= 14601.22 K
2026-10-24 04:13:55,866 INFO - step #6 T -294076.81 -736824.39 -197252.42 640000.00 T= 14551.37 K
2026-10-24 04:13:56,035 INFO - step #7 R -402343.81 -766578.10 -195765.71 560000.00 T= 14501.53 K
2026-10-24 04:13:56,425 INFO - step #8 T -300685.22 -708018.50 -192666.72 600000.00 T= 14351.98 K
2026-10-24 04:13:56,595 INFO - step #9 T -502036.04 -634363.40 -187672.63 320000.00 T= 14302.14 K
2026-10-24 04:13:57,101 INFO - step #10 T -441370.46 -586960.61 -174409.85 320000.00 T= 14102.75 K
2026-10-24 04:13:57,373 INFO - step #11 R -488897.27 -636490.47 -172406.80 320000.00 T= 14003.05 K
2026-10-24 04:13:57,540 INFO - step #12 R -463131.30 -612131.94 -170999.35 320000.00 T= 13953.20 K
2026-10-24 04:13:57,800 INFO - step #13 T -434895.87 -688857.67 -186038.20 440000.00 T= 13903.36 K
2026-10-24 04:13:57,972 INFO - step #14 R -297683.42 -656218.20 -201465.22 560000.00 T= 13853.51 K
2026-10-24 04:13:58,144 INFO - step #15 R -376952.78 -675927.52 -181025.25 480000.00 T= 13803.66 K
2026-10-24 04:13:58,314 INFO - step #16 T -303916.12 -674564.66 -189351.45 560000.00 T= 13753.81 K
2026-10-24 04:13:58,483 INFO - step #17 T -619883.02 -675003.29 -184879.74 240000.00 T= 13703.97 K
2026-10-24 04:13:59,080 INFO - step #18 T -364086.23 -670106.29 -173979.94 480000.00 T= 13454.73 K
2026-10-24 04:13:59,492 INFO - step #19 R -238041.56 -641993.62 -156047.94 560000.00 T= 13355.03 K
2026-10-24 04:14:00,204 INFO - step #20 R -283981.31 -648684.06 -155297.25 520000.00 T= 13055.95 K
2026-10-24 04:14:00,372 INFO - step #21 R -339732.87 -649739.27 -169993.60 480000.00 T= 13006.10 K
2026-10-24 04:14:00,659 INFO - step #22 T -325212.28 -669501.29 -175711.00 520000.00 T= 12906.41 K
2026-10-24 04:14:00,827 INFO - step #23 T -174587.96 -661165.43 -193422.53 680000.00 T= 12856.56 K
2026-10-24 04:14:01,110 INFO - step #24 R -418252.50 -660222.38 -198030.13 440000.00 T= 12756.86 K
2026-10-24 04:14:01,559 INFO - step #25 R -418134.59 -662280.96 -195853.63 440000.00 T= 12657.17 K
2026-10-24 04:14:01,949 INFO - step #26 R -281708.02 -685022.16 -196685.86 600000.00 T= 12507.63 K
2026-10-24 04:14:02,129 INFO - step #27 T -279352.27 -685474.52 -193877.75 600000.00 T= 12457.78 K
2026-10-24 04:14:02,310 INFO - step #28 T -247591.73 -656586.65 -191005.08 600000.00 T= 12407.93 K
2026-10-24 04:14:02,492 INFO - step #29 R -383317.05 -639833.18 -183483.87 440000.00 T= 12358.08 K
2026-10-24 04:14:02,666 INFO - step #30 T -471997.81 -710457.94 -201539.87 440000.00 T= 12308.24 K
2026-10-24 04:14:02,834 INFO - step #31 R -473095.30 -711585.74 -201509.56 440000.00 T= 12258.39 K
2026-10-24 04:14:03,329 INFO - step #32 R -461649.05 -698639.17 -203009.88 440000.00 T= 12059.00 K
2026-10-24 04:14:03,717 INFO - step #33 T -277495.02 -677730.33 -199764.68 600000.00 T= 12009.15 K
2026-10-24 04:14:03,887 INFO - step #34 R -480782.72 -680329.10 -200453.62 400000.00 T= 11959.31 K
2026-10-24 04:14:04,054 INFO - step #35 R -486192.19 -685575.79 -200616.40 400000.00 T= 11909.46 K
2026-10-24 04:14:04,329 INFO - step #36 R -517863.66 -679994.49 -197869.17 360000.00 T= 11809.76 K
2026-10-24 04:14:04,501 INFO - step #37 R -531824.89 -691485.28 -200339.60 360000.00 T= 11759.92 K
2026-10-24 04:14:04,774 INFO - step #38 T -502255.50 -726859.41 -215396.09 440000.00 T= 11660.22 K
2026-10-24 04:14:05,160 INFO - step #39 R -511578.65 -740502.39 -211076.26 440000.00 T= 11510.68 K
2026-10-24 04:14:06,665 INFO - step #40 R -320486.67 -716171.37 -204315.30 600000.00 T= 10862.66 K
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2026-10-24 04:14:07,277 INFO - step #42 R -374472.20 -700740.37 -193731.83 520000.00 T= 10762.97 K
2026-10-24 04:14:07,558 INFO - step #43 T -205396.68 -661572.81 -183823.87 640000.00 T= 10663.27 K
2026-10-24 04:14:07,843 INFO - step #44 R -210044.85 -662786.13 -187258.73 640000.00 T= 10563.58 K
2026-10-24 04:14:08,023 INFO - step #45 T -399135.31 -726330.94 -192804.36 520000.00 T= 10513.73 K
2026-10-24 04:14:08,622 INFO - step #46 R -391444.82 -718209.90 -193234.93 520000.00 T= 10264.49 K
2026-10-24 04:14:08,792 INFO - step #47 R 11720.93 -639346.15 -188932.91 840000.00 T= 10214.64 K
2026-10-24 04:14:08,964 INFO - step #48 T -63430.29 -727180.07 -216250.21 880000.00 T= 10164.80 K
2026-10-24 04:14:09,142 INFO - step #49 R -93830.48 -705181.51 -188648.97 800000.00 T= 10114.95 K
2026-10-24 04:14:09,753 INFO - step #50 T -49946.04 -645456.16 -164489.88 760000.00 T= 9865.71 K
2026-10-24 04:14:09,919 INFO - step #51 T -153382.18 -654393.02 -178989.16 680000.00 T= 9815.86 K
2026-10-24 04:14:10,190 INFO - step #52 T -242774.10 -613265.18 -149508.92 520000.00 T= 9716.17 K
2026-10-24 04:14:10,808 INFO - step #53 R -207872.93 -649137.00 -158735.93 600000.00 T= 9616.47 K
2026-10-24 04:14:10,974 INFO - step #54 R -235202.28 -601367.56 -153834.72 520000.00 T= 9566.63 K
2026-10-24 04:14:11,261 INFO - step #55 R -258828.20 -623466.76 -155361.44 520000.00 T= 9466.93 K
2026-10-24 04:14:11,662 INFO - step #56 T -275804.07 -609587.89 -146216.18 480000.00 T= 9317.39 K
2026-10-24 04:14:11,830 INFO - step #57 T -492110.89 -572594.81 -159516.08 240000.00 T= 9267.54 K
2026-10-24 04:14:11,996 INFO - step #58 R -540731.20 -574209.17 -166522.03 200000.00 T= 9217.69 K
2026-10-24 04:14:12,481 INFO - step #59 R -529857.84 -577888.09 -151969.75 200000.00 T= 9018.31 K
2026-10-24 04:14:12,759 INFO - step #60 T -560135.54 -523476.33 -156659.21 120000.00 T= 8918.61 K
2026-10-24 04:14:13,023 INFO - step #61 R -577448.01 -539937.83 -157510.18 120000.00 T= 8818.92 K
2026-10-24 04:14:13,391 INFO - step #62 T -519194.60 -536034.37 -143160.23 160000.00 T= 8669.37 K
2026-10-24 04:14:13,761 INFO - step #63 R -596868.18 -592189.14 -164679.04 160000.00 T= 8519.83 K
2026-10-24 04:14:14,039 INFO - step #64 T -604721.18 -604860.01 -159861.17 160000.00 T= 8420.14 K
2026-10-24 04:14:14,217 INFO - step #65 T -609622.91 -646747.14 -162875.77 200000.00 T= 8370.29 K
2026-10-24 04:14:15,037 INFO - step #66 R -639435.47 -671857.67 -167577.80 200000.00 T= 8220.75 K
2026-10-24 04:14:15,421 INFO - step #67 T -641791.05 -666893.95 -174897.10 200000.00 T= 8071.20 K
2026-10-24 04:14:15,699 INFO - step #68 R -627597.48 -655589.58 -172007.90 200000.00 T= 7971.51 K
2026-10-24 04:14:16,075 INFO - step #69 R -649659.35 -673507.22 -176152.13 200000.00 T= 7821.97 K
2026-10-24 04:14:16,250 INFO - step #70 R -635896.24 -662408.34 -173487.90 200000.00 T= 7772.12 K
2026-10-24 04:14:16,422 INFO - step #71 R -638333.07 -664706.93 -173626.14 200000.00 T= 7722.27 K
2026-10-24 04:14:16,714 INFO - step #72 R -555663.57 -588958.10 -166705.47 200000.00 T= 7622.58 K
2026-10-24 04:14:16,982 INFO - step #73 T -564310.64 -597540.23 -166770.41 200000.00 T= 7522.88 K
2026-10-24 04:14:17,477 INFO - step #74 R -691681.37 -672432.04 -179249.33 160000.00 T= 7323.49 K
2026-10-24 04:14:17,749 INFO - step #75 R -563443.79 -593464.84 -169978.95 200000.00 T= 7223.80 K
2026-10-24 04:14:17,928 INFO - step #76 T -574952.06 -568043.08 -166908.98 160000.00 T= 7173.95 K
2026-10-24 04:14:18,092 INFO - step #77 T -526203.45 -519848.18 -166355.27 160000.00 T= 7124.10 K
2026-10-24 04:14:18,357 INFO - step #78 T -505011.04 -462023.06 -162987.97 120000.00 T= 7024.41 K
2026-10-24 04:14:18,826 INFO - step #79 T -533883.28 -484595.54 -169287.74 120000.00 T= 6825.02 K
2026-10-24 04:14:18,987 INFO - step #80 T -536285.48 -462179.88 -154105.60 80000.00 T= 6775.17 K
2026-10-24 04:14:19,195 INFO - step #81 T -479838.38 -389091.49 -130746.89 40000.00 T= 6725.32 K
2026-10-24 04:14:19,489 INFO - step #82 R -398825.39 -360661.86 -118163.54 80000.00 T= 6625.63 K
2026-10-24 04:14:20,226 INFO - step #83 R -482780.52 -388514.94 -134265.58 40000.00 T= 6575.78 K
2026-10-24 04:14:20,501 INFO - step #84 R -479895.83 -385951.97 -133943.86 40000.00 T= 6476.08 K
2026-10-24 04:14:20,663 INFO - step #85 R -476322.99 -383348.72 -132974.27 40000.00 T= 6426.24 K
2026-10-24 04:14:20,926 INFO - step #86 R -465987.84 -412471.19 -133516.65 80000.00 T= 6326.54 K
2026-10-24 04:14:21,123 INFO - step #87 R -482828.48 -388514.94 -134313.55 40000.00 T= 6276.69 K
2026-10-24 04:14:21,597 INFO - step #88 R -479498.99 -385045.24 -134453.75 40000.00 T= 6077.31 K
2026-10-24 04:14:21,788 INFO - step #89 R -476322.99 -383348.72 -132974.27 40000.00 T= 6027.46 K
2026-10-24 04:14:22,047 INFO - step #90 R -483961.87 -390781.53 -133180.34 40000.00 T= 5927.76 K
2026-10-24 04:14:22,217 INFO - step #91 R -413593.21 -405020.54 -128572.68 120000.00 T= 5877.92 K
2026-10-24 04:14:22,487 INFO - step #92 R -490338.50 -398625.49 -131713.01 40000.00 T= 5778.22 K
2026-10-24 04:14:23,072 INFO - step #93 R -426620.84 -379081.04 -127539.80 80000.00 T= 5528.98 K
2026-10-24 04:14:23,337 INFO - step #94 T -543642.81 -474336.47 -149306.34 80000.00 T= 5429.29 K
2026-10-24 04:14:23,500 INFO - step #95 R -539920.47 -471260.32 -148660.16 80000.00 T= 5379.44 K
2026-10-24 04:14:24,059 INFO - step #96 R -534288.25 -467303.50 -146984.75 80000.00 T= 5130.20 K
2026-10-24 04:14:24,321 INFO - step #97 R -554242.91 -483995.82 -150247.09 80000.00 T= 5030.51 K
2026-10-24 04:14:24,787 INFO - step #98 R -561303.94 -489556.23 -151747.71 80000.00 T= 4831.12 K
2026-10-24 04:14:25,050 INFO - step #99 R -563251.14 -490176.44 -153074.70 80000.00 T= 4731.42 K
2026-10-24 04:14:25,723 INFO - step #100 T -469706.13 -485651.76 -144054.36 160000.00 T= 4432.34 K
2026-10-24 04:14:25,888 INFO - step #101 T -575489.67 -493476.50 -162013.17 80000.00 T= 4382.49 K
2026-10-24 04:14:26,067 INFO - step #102 R -576384.14 -494370.97 -162013.17 80000.00 T= 4332.64 K
2026-10-24 04:14:28,628 INFO - step #103 T -566269.87 -495074.04 -151195.83 80000.00 T= 3485.24 K
2026-10-24 04:14:29,514 INFO - step #104 T -553951.19 -487536.49 -146414.71 80000.00 T= 3086.46 K
2026-10-24 04:14:29,693 INFO - step #105 T -582707.76 -510134.63 -152573.13 80000.00 T= 3036.61 K
2026-10-24 04:14:29,966 INFO - step #106 T -574265.04 -526372.08 -167892.96 120000.00 T= 2936.92 K
2026-10-24 04:14:30,241 INFO - step #107 R -565472.97 -524005.37 -161467.60 120000.00 T= 2837.22 K
2026-10-24 04:14:30,407 INFO - step #108 R -540817.04 -507259.41 -153557.62 120000.00 T= 2787.37 K
2026-10-24 04:14:30,571 INFO - step #109 R -546490.08 -518283.61 -148206.47 120000.00 T= 2737.53 K
2026-10-24 04:14:30,736 INFO - step #110 R -525788.55 -489811.98 -155976.58 120000.00 T= 2687.68 K
2026-10-24 04:14:31,305 INFO - step #111 T -558686.35 -525686.39 -152999.96 120000.00 T= 2438.44 K
2026-10-24 04:14:31,900 INFO - step #112 T -552407.92 -542378.09 -170029.83 160000.00 T= 2189.20 K
2026-10-24 04:14:32,071 INFO - step #113 R -548445.48 -536879.76 -171565.72 160000.00 T= 2139.36 K
2026-10-24 04:14:32,250 INFO - step #114 T -545149.09 -510908.87 -154240.22 120000.00 T= 2089.51 K
2026-10-24 04:14:35,328 INFO - step #115 R -546120.06 -514283.23 -151836.84 120000.00 T= 643.93 K
2026-10-24 04:14:35,695 INFO - step #116 T -534892.37 -472648.11 -142244.26 80000.00 T= 494.39 K
2026-10-24 04:14:36,056 INFO - step #117 R -559203.83 -492566.71 -146637.13 80000.00 T= 344.85 K
2026-10-24 04:14:37,574 INFO - save short traj
2026-10-24 04:14:37,649 INFO - save best.pdb
2026-10-24 04:14:37,672 INFO - save plot e_step.png
2026-10-24 04:14:38,112 INFO - done