2026-04-29 16:48:12,035 INFO - start - parameters: File name /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2//ref_struc/na-prot_9950/na-prot_9950.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-04-29 16:48:12,844 INFO - step #1 T -466899.17 -890997.60 -215901.57 640000.00 T= 15000.00 K 2026-04-29 16:48:13,033 INFO - step #2 R -475539.66 -899580.71 -215958.95 640000.00 T= 14985.30 K 2026-04-29 16:48:13,263 INFO - step #3 T -497367.25 -781520.96 -195846.29 480000.00 T= 14970.59 K 2026-04-29 16:48:13,577 INFO - step #4 R -553438.87 -825329.84 -208109.02 480000.00 T= 14941.18 K 2026-04-29 16:48:13,766 INFO - step #5 T -447208.85 -764483.39 -162725.46 480000.00 T= 14926.48 K 2026-04-29 16:48:14,144 INFO - step #6 T -537100.07 -728607.86 -168492.21 360000.00 T= 14897.07 K 2026-04-29 16:48:14,329 INFO - step #7 R -494046.46 -741096.47 -152949.99 400000.00 T= 14882.36 K 2026-04-29 16:48:14,525 INFO - step #8 R -377957.95 -784827.50 -153130.45 560000.00 T= 14867.66 K 2026-04-29 16:48:14,715 INFO - step #9 R -479869.69 -793552.69 -166317.00 480000.00 T= 14852.95 K 2026-04-29 16:48:15,271 INFO - step #10 R -324669.62 -730633.82 -154035.80 560000.00 T= 14794.13 K 2026-04-29 16:48:15,459 INFO - step #11 R -214214.82 -742635.95 -151578.87 680000.00 T= 14779.43 K 2026-04-29 16:48:15,771 INFO - step #12 T -292645.49 -730946.17 -161699.32 600000.00 T= 14750.02 K 2026-04-29 16:48:16,052 INFO - step #13 T -170156.38 -624975.49 -145180.89 600000.00 T= 14735.31 K 2026-04-29 16:48:16,234 INFO - step #14 R -170487.73 -637233.85 -133253.88 600000.00 T= 14720.61 K 2026-04-29 16:48:16,418 INFO - step #15 R -167474.98 -634377.88 -133097.10 600000.00 T= 14705.90 K 2026-04-29 16:48:16,601 INFO - step #16 R -170646.48 -641430.60 -129215.89 600000.00 T= 14691.20 K 2026-04-29 16:48:16,906 INFO - step #17 R -335068.97 -647267.89 -127801.08 440000.00 T= 14661.79 K 2026-04-29 16:48:17,208 INFO - step #18 T -357700.01 -673959.13 -123740.89 440000.00 T= 14632.38 K 2026-04-29 16:48:17,526 INFO - step #19 T -198170.18 -603032.22 -115137.97 520000.00 T= 14617.67 K 2026-04-29 16:48:17,705 INFO - step #20 T -387720.63 -515168.05 -112552.58 240000.00 T= 14602.97 K 2026-04-29 16:48:18,013 INFO - step #21 T -403560.85 -565339.48 -118221.36 280000.00 T= 14573.56 K 2026-04-29 16:48:18,312 INFO - step #22 R -385106.27 -545973.69 -119132.58 280000.00 T= 14544.15 K 2026-04-29 16:48:18,491 INFO - step #23 R -438603.06 -561568.39 -117034.68 240000.00 T= 14529.44 K 2026-04-29 16:48:18,811 INFO - step #24 R -386253.57 -547120.99 -119132.58 280000.00 T= 14500.03 K 2026-04-29 16:48:19,001 INFO - step #25 R -382844.92 -543712.34 -119132.58 280000.00 T= 14485.33 K 2026-04-29 16:48:19,359 INFO - step #26 R -404987.85 -563430.38 -121557.47 280000.00 T= 14470.62 K 2026-04-29 16:48:19,905 INFO - step #27 R -414569.30 -576222.28 -118347.03 280000.00 T= 14411.80 K 2026-04-29 16:48:20,208 INFO - step #28 R -408669.32 -532610.54 -116058.78 240000.00 T= 14382.39 K 2026-04-29 16:48:20,392 INFO - step #29 T -395895.01 -556413.81 -119481.20 280000.00 T= 14367.69 K 2026-04-29 16:48:20,576 INFO - step #30 R -396743.62 -555114.20 -121629.42 280000.00 T= 14352.98 K 2026-04-29 16:48:21,005 INFO - step #31 T -546220.58 -691584.90 -134635.68 280000.00 T= 14308.87 K 2026-04-29 16:48:21,435 INFO - step #32 T -411712.86 -678340.66 -133372.19 400000.00 T= 14264.75 K 2026-04-29 16:48:21,840 INFO - step #33 R -452459.77 -738213.12 -154246.66 440000.00 T= 14250.05 K 2026-04-29 16:48:22,027 INFO - step #34 T -405878.62 -763055.56 -162823.06 520000.00 T= 14235.34 K 2026-04-29 16:48:22,585 INFO - step #35 T -534574.65 -764353.26 -170221.39 400000.00 T= 14176.52 K 2026-04-29 16:48:23,275 INFO - step #36 T -497707.16 -704597.84 -153109.31 360000.00 T= 14103.00 K 2026-04-29 16:48:23,460 INFO - step #37 R -444489.54 -663999.53 -140490.02 360000.00 T= 14088.29 K 2026-04-29 16:48:23,647 INFO - step #38 T -354969.35 -592358.37 -122610.98 360000.00 T= 14073.59 K 2026-04-29 16:48:23,830 INFO - step #39 R -514336.79 -579133.62 -135203.16 200000.00 T= 14058.88 K 2026-04-29 16:48:24,281 INFO - step #40 R -611177.46 -614190.35 -156987.11 160000.00 T= 14044.18 K 2026-04-29 16:48:24,478 INFO - step #41 R -600861.10 -608019.41 -152841.69 160000.00 T= 14029.47 K 2026-04-29 16:48:24,790 INFO - step #42 R -601844.08 -604540.44 -157303.64 160000.00 T= 14000.06 K 2026-04-29 16:48:25,352 INFO - step #43 T -395928.91 -640823.39 -155105.52 400000.00 T= 13941.24 K 2026-04-29 16:48:25,664 INFO - step #44 T -358145.22 -680712.63 -157432.59 480000.00 T= 13911.83 K 2026-04-29 16:48:25,853 INFO - step #45 T -214946.67 -692205.72 -162740.95 640000.00 T= 13897.13 K 2026-04-29 16:48:26,040 INFO - step #46 R -214946.67 -692205.72 -162740.95 640000.00 T= 13882.42 K 2026-04-29 16:48:26,229 INFO - step #47 R -209838.45 -711355.75 -178482.70 680000.00 T= 13867.72 K 2026-04-29 16:48:26,418 INFO - step #48 R 25514.12 -683245.60 -171240.28 880000.00 T= 13853.01 K 2026-04-29 16:48:26,604 INFO - step #49 T -281940.99 -648453.01 -153487.98 520000.00 T= 13838.31 K 2026-04-29 16:48:27,121 INFO - step #50 T -351929.91 -633204.56 -158725.35 440000.00 T= 13823.60 K 2026-04-29 16:48:27,306 INFO - step #51 R -480366.84 -643303.43 -157063.41 320000.00 T= 13808.90 K 2026-04-29 16:48:27,516 INFO - step #52 R -501664.59 -654642.80 -167021.79 320000.00 T= 13794.19 K 2026-04-29 16:48:27,703 INFO - step #53 T -268819.69 -627352.31 -161467.39 520000.00 T= 13779.49 K 2026-04-29 16:48:28,006 INFO - step #54 T -278914.85 -564990.65 -153924.20 440000.00 T= 13750.08 K 2026-04-29 16:48:28,192 INFO - step #55 R -178788.09 -553115.63 -145672.46 520000.00 T= 13735.37 K 2026-04-29 16:48:28,507 INFO - step #56 T -211684.37 -639916.78 -171767.59 600000.00 T= 13705.96 K 2026-04-29 16:48:28,704 INFO - step #57 R -361194.95 -624714.40 -176480.55 440000.00 T= 13691.26 K 2026-04-29 16:48:28,892 INFO - step #58 R -358441.85 -617333.60 -181108.25 440000.00 T= 13676.55 K 2026-04-29 16:48:29,082 INFO - step #59 T -379626.41 -645358.16 -174268.25 440000.00 T= 13661.85 K 2026-04-29 16:48:29,392 INFO - step #60 R -325709.82 -627242.53 -178467.29 480000.00 T= 13632.44 K 2026-04-29 16:48:29,714 INFO - step #61 R -331389.52 -631004.79 -180384.73 480000.00 T= 13603.03 K 2026-04-29 16:48:30,305 INFO - step #62 R -342559.45 -648786.21 -173773.24 480000.00 T= 13588.32 K 2026-04-29 16:48:30,857 INFO - step #63 R -342559.45 -648786.21 -173773.24 480000.00 T= 13529.50 K 2026-04-29 16:48:31,057 INFO - step #64 R -338734.07 -650900.43 -167833.64 480000.00 T= 13514.80 K 2026-04-29 16:48:31,242 INFO - step #65 R -335046.51 -647212.87 -167833.64 480000.00 T= 13500.09 K 2026-04-29 16:48:31,434 INFO - step #66 T -450781.91 -740207.58 -190574.33 480000.00 T= 13485.39 K 2026-04-29 16:48:31,621 INFO - step #67 R -453359.38 -742869.77 -190489.61 480000.00 T= 13470.68 K 2026-04-29 16:48:31,932 INFO - step #68 R -428781.96 -726419.29 -182362.67 480000.00 T= 13441.27 K 2026-04-29 16:48:32,609 INFO - step #69 R -352788.10 -702568.59 -170219.51 520000.00 T= 13367.75 K 2026-04-29 16:48:33,413 INFO - step #70 R -285430.65 -734556.03 -190874.61 640000.00 T= 13279.52 K 2026-04-29 16:48:33,603 INFO - step #71 R -300701.78 -721935.05 -178766.73 600000.00 T= 13264.81 K 2026-04-29 16:48:34,165 INFO - step #72 R -263093.16 -712515.90 -190577.26 640000.00 T= 13205.99 K 2026-04-29 16:48:34,474 INFO - step #73 T -233630.01 -694243.53 -179386.48 640000.00 T= 13176.58 K 2026-04-29 16:48:34,809 INFO - step #74 R -340057.36 -659101.86 -160955.50 480000.00 T= 13147.17 K 2026-04-29 16:48:35,030 INFO - step #75 R -241501.50 -628354.96 -173146.54 560000.00 T= 13132.47 K 2026-04-29 16:48:35,756 INFO - step #76 T -390140.05 -752242.00 -197898.05 560000.00 T= 13117.76 K 2026-04-29 16:48:36,076 INFO - step #77 T -224867.75 -808758.99 -216108.75 800000.00 T= 13088.35 K 2026-04-29 16:48:36,296 INFO - step #78 R -330082.16 -810354.94 -199727.22 680000.00 T= 13073.65 K 2026-04-29 16:48:36,621 INFO - step #79 T -108861.46 -687799.36 -181062.10 760000.00 T= 13044.24 K 2026-04-29 16:48:36,843 INFO - step #80 R -221268.25 -682505.20 -178763.05 640000.00 T= 13029.53 K 2026-04-29 16:48:37,081 INFO - step #81 T -281916.63 -731606.48 -190310.14 640000.00 T= 13014.83 K 2026-04-29 16:48:37,271 INFO - step #82 T -520906.39 -794592.32 -206314.07 480000.00 T= 13000.12 K 2026-04-29 16:48:37,466 INFO - step #83 R -522103.76 -795879.24 -206224.53 480000.00 T= 12985.42 K 2026-04-29 16:48:37,668 INFO - step #84 T -617058.27 -766035.22 -211023.05 360000.00 T= 12970.71 K 2026-04-29 16:48:38,231 INFO - step #85 T -688356.87 -766517.53 -201839.34 280000.00 T= 12911.89 K 2026-04-29 16:48:38,419 INFO - step #86 R -575415.25 -779518.33 -195896.92 400000.00 T= 12897.19 K 2026-04-29 16:48:38,733 INFO - step #87 R -578623.97 -782727.05 -195896.92 400000.00 T= 12867.78 K 2026-04-29 16:48:38,937 INFO - step #88 T -848853.45 -841916.53 -206936.92 200000.00 T= 12853.07 K 2026-04-29 16:48:39,272 INFO - step #89 T -817433.95 -875824.76 -221609.19 280000.00 T= 12823.66 K 2026-04-29 16:48:39,467 INFO - step #90 R -817631.74 -876035.39 -221596.35 280000.00 T= 12808.96 K 2026-04-29 16:48:39,807 INFO - step #91 T -699924.21 -904832.51 -235091.70 440000.00 T= 12779.55 K 2026-04-29 16:48:40,150 INFO - step #92 T -817159.24 -871478.27 -225680.97 280000.00 T= 12750.14 K 2026-04-29 16:48:40,942 INFO - step #93 R -770993.59 -866667.40 -224326.20 320000.00 T= 12735.43 K 2026-04-29 16:48:41,420 INFO - step #94 R -816533.26 -865305.33 -231227.93 280000.00 T= 12691.32 K 2026-04-29 16:48:41,619 INFO - step #95 R -821867.51 -876267.11 -225600.40 280000.00 T= 12676.61 K 2026-04-29 16:48:41,815 INFO - step #96 R -803500.48 -859440.15 -224060.33 280000.00 T= 12661.91 K 2026-04-29 16:48:42,640 INFO - step #97 R -773863.18 -875893.40 -217969.78 320000.00 T= 12573.68 K 2026-04-29 16:48:42,835 INFO - step #98 T -728274.48 -919918.87 -248355.61 440000.00 T= 12558.97 K 2026-04-29 16:48:43,162 INFO - step #99 R -740354.41 -927900.19 -252454.21 440000.00 T= 12529.56 K 2026-04-29 16:48:43,612 INFO - step #100 R -694770.95 -861168.39 -233602.55 400000.00 T= 12485.45 K 2026-04-29 16:48:43,826 INFO - step #101 T -732715.00 -858422.54 -234292.45 360000.00 T= 12470.74 K 2026-04-29 16:48:44,275 INFO - step #102 T -604451.82 -919024.75 -245427.07 560000.00 T= 12426.63 K 2026-04-29 16:48:44,469 INFO - step #103 R -534986.61 -925766.11 -249220.49 640000.00 T= 12411.92 K 2026-04-29 16:48:44,665 INFO - step #104 T -553213.46 -834879.57 -238333.90 520000.00 T= 12397.22 K 2026-04-29 16:48:44,992 INFO - step #105 T -860365.47 -837564.65 -222800.82 200000.00 T= 12367.81 K 2026-04-29 16:48:45,304 INFO - step #106 R -823412.62 -805694.07 -217718.56 200000.00 T= 12338.40 K 2026-04-29 16:48:45,499 INFO - step #107 T -794169.07 -837615.97 -236553.10 280000.00 T= 12323.69 K 2026-04-29 16:48:46,197 INFO - step #108 R -791489.19 -834936.09 -236553.10 280000.00 T= 12250.17 K 2026-04-29 16:48:46,418 INFO - step #109 R -855094.90 -850535.66 -244559.23 240000.00 T= 12235.46 K 2026-04-29 16:48:47,373 INFO - step #110 R -883173.00 -842597.52 -240575.47 200000.00 T= 12132.53 K 2026-04-29 16:48:48,070 INFO - step #111 R -820462.41 -824578.07 -235884.34 240000.00 T= 12059.00 K 2026-04-29 16:48:48,684 INFO - step #112 T -794100.68 -873910.19 -240190.49 320000.00 T= 12000.18 K 2026-04-29 16:48:49,761 INFO - step #113 R -612564.45 -814345.95 -238218.49 440000.00 T= 11970.77 K 2026-04-29 16:48:49,967 INFO - step #114 R -793967.91 -867201.86 -246766.05 320000.00 T= 11956.07 K 2026-04-29 16:48:50,299 INFO - step #115 R -804229.57 -858051.84 -226177.74 280000.00 T= 11926.66 K 2026-04-29 16:48:50,620 INFO - step #116 R -814686.34 -871555.50 -223130.84 280000.00 T= 11897.25 K 2026-04-29 16:48:51,081 INFO - step #117 R -824663.20 -876233.61 -228429.59 280000.00 T= 11853.13 K 2026-04-29 16:48:51,532 INFO - step #118 R -718822.65 -821842.93 -216979.73 320000.00 T= 11809.02 K 2026-04-29 16:48:51,723 INFO - step #119 T -769833.43 -854677.49 -235155.93 320000.00 T= 11794.31 K 2026-04-29 16:48:52,165 INFO - step #120 R -739474.43 -842680.44 -216793.99 320000.00 T= 11750.20 K 2026-04-29 16:48:52,368 INFO - step #121 T -704245.46 -849196.16 -215049.30 360000.00 T= 11735.49 K 2026-04-29 16:48:52,560 INFO - step #122 R -701635.36 -846552.28 -215083.09 360000.00 T= 11720.79 K 2026-04-29 16:48:52,766 INFO - step #123 T -601802.27 -800455.32 -201346.95 400000.00 T= 11706.08 K 2026-04-29 16:48:53,084 INFO - step #124 R -723113.47 -833055.23 -250058.24 360000.00 T= 11676.67 K 2026-04-29 16:48:53,927 INFO - step #125 R -726385.13 -841119.01 -245266.13 360000.00 T= 11588.44 K 2026-04-29 16:48:54,119 INFO - step #126 T -801289.14 -783613.64 -217675.49 200000.00 T= 11573.74 K 2026-04-29 16:48:54,561 INFO - step #127 R -658296.05 -721080.46 -177215.58 240000.00 T= 11529.62 K 2026-04-29 16:48:54,999 INFO - step #128 R -596713.94 -704952.15 -171761.79 280000.00 T= 11485.51 K 2026-04-29 16:48:55,188 INFO - step #129 T -540377.92 -764281.52 -176096.40 400000.00 T= 11470.80 K 2026-04-29 16:48:55,387 INFO - step #130 R -557251.06 -780391.87 -176859.19 400000.00 T= 11456.10 K 2026-04-29 16:48:55,952 INFO - step #131 R -565676.54 -787153.67 -178522.87 400000.00 T= 11397.28 K 2026-04-29 16:48:56,142 INFO - step #132 R -547548.14 -767995.85 -179552.29 400000.00 T= 11382.57 K 2026-04-29 16:48:56,579 INFO - step #133 T -718834.87 -804467.11 -194367.75 280000.00 T= 11338.46 K 2026-04-29 16:48:56,898 INFO - step #134 R -701689.05 -783287.19 -198401.87 280000.00 T= 11309.05 K 2026-04-29 16:48:57,210 INFO - step #135 R -710212.33 -787960.32 -202252.01 280000.00 T= 11279.64 K 2026-04-29 16:48:57,643 INFO - step #136 R -718561.84 -797514.96 -201046.87 280000.00 T= 11235.52 K 2026-04-29 16:48:58,084 INFO - step #137 R -708388.93 -792741.09 -195647.84 280000.00 T= 11191.41 K 2026-04-29 16:48:59,181 INFO - step #138 R -724918.95 -804615.61 -200303.35 280000.00 T= 11176.70 K 2026-04-29 16:48:59,519 INFO - step #139 T -772803.77 -803456.41 -209347.35 240000.00 T= 11147.29 K 2026-04-29 16:49:00,589 INFO - step #140 T -799478.73 -829442.50 -210036.23 240000.00 T= 11029.65 K 2026-04-29 16:49:01,413 INFO - step #141 T -868277.07 -885882.27 -222394.80 240000.00 T= 10941.42 K 2026-04-29 16:49:02,003 INFO - step #142 T -641334.53 -904557.62 -216776.91 480000.00 T= 10882.60 K 2026-04-29 16:49:02,202 INFO - step #143 T -683919.53 -898759.26 -225160.26 440000.00 T= 10867.90 K 2026-04-29 16:49:02,407 INFO - step #144 R -759306.58 -955335.09 -243971.49 440000.00 T= 10853.19 K 2026-04-29 16:49:02,620 INFO - step #145 R -860163.77 -910741.13 -229422.64 280000.00 T= 10838.49 K 2026-04-29 16:49:02,967 INFO - step #146 R -757701.31 -955455.18 -242246.13 440000.00 T= 10809.08 K 2026-04-29 16:49:03,180 INFO - step #147 R -920687.56 -937265.86 -263421.71 280000.00 T= 10794.37 K 2026-04-29 16:49:04,381 INFO - step #148 R -892763.75 -917792.10 -254971.65 280000.00 T= 10676.73 K 2026-04-29 16:49:04,711 INFO - step #149 R -727774.90 -869203.17 -258571.74 400000.00 T= 10647.32 K 2026-04-29 16:49:04,902 INFO - step #150 R -719712.69 -856691.69 -263021.00 400000.00 T= 10632.62 K 2026-04-29 16:49:05,348 INFO - step #151 R -723187.10 -861823.15 -261363.94 400000.00 T= 10588.50 K 2026-04-29 16:49:05,695 INFO - step #152 R -724842.02 -865382.19 -259459.83 400000.00 T= 10559.09 K 2026-04-29 16:49:05,903 INFO - step #153 T -688869.42 -978312.73 -270556.69 560000.00 T= 10544.39 K 2026-04-29 16:49:06,624 INFO - step #154 R -688311.45 -977754.76 -270556.69 560000.00 T= 10470.86 K 2026-04-29 16:49:07,078 INFO - step #155 R -741544.69 -937460.09 -284084.60 480000.00 T= 10426.75 K 2026-04-29 16:49:07,408 INFO - step #156 T -728971.29 -936956.59 -272014.70 480000.00 T= 10397.34 K 2026-04-29 16:49:07,871 INFO - step #157 R -819675.09 -980278.93 -279396.16 440000.00 T= 10353.22 K 2026-04-29 16:49:08,074 INFO - step #158 R -819675.09 -980278.93 -279396.16 440000.00 T= 10338.52 K 2026-04-29 16:49:08,562 INFO - step #159 R -754348.38 -954118.66 -280229.72 480000.00 T= 10294.40 K 2026-04-29 16:49:10,359 INFO - step #160 T -791643.27 -978426.50 -253216.77 440000.00 T= 10103.24 K 2026-04-29 16:49:10,945 INFO - step #161 R -811695.56 -973975.74 -237719.82 400000.00 T= 10044.42 K 2026-04-29 16:49:11,137 INFO - step #162 R -783128.43 -977911.78 -245216.65 440000.00 T= 10029.71 K 2026-04-29 16:49:11,584 INFO - step #163 R -764179.08 -961823.69 -242355.39 440000.00 T= 9985.60 K 2026-04-29 16:49:11,778 INFO - step #164 R -764179.08 -961823.69 -242355.39 440000.00 T= 9970.89 K 2026-04-29 16:49:12,097 INFO - step #165 T -718596.39 -885929.19 -232667.20 400000.00 T= 9941.48 K 2026-04-29 16:49:13,400 INFO - step #166 T -688990.02 -861881.94 -227108.09 400000.00 T= 9926.78 K 2026-04-29 16:49:13,607 INFO - step #167 R -732003.16 -893919.09 -238084.08 400000.00 T= 9912.07 K 2026-04-29 16:49:13,821 INFO - step #168 T -934374.60 -896339.70 -238034.90 200000.00 T= 9897.37 K 2026-04-29 16:49:14,535 INFO - step #169 R -848271.28 -869202.73 -219068.55 240000.00 T= 9823.84 K 2026-04-29 16:49:14,863 INFO - step #170 T -715943.27 -828011.15 -207932.12 320000.00 T= 9794.43 K 2026-04-29 16:49:15,053 INFO - step #171 T -697255.51 -719652.87 -177602.64 200000.00 T= 9779.73 K 2026-04-29 16:49:15,240 INFO - step #172 T -639775.28 -705885.50 -173889.78 240000.00 T= 9765.02 K 2026-04-29 16:49:15,558 INFO - step #173 R -734605.98 -749974.49 -184631.49 200000.00 T= 9735.61 K 2026-04-29 16:49:15,874 INFO - step #174 R -670302.56 -729703.03 -180599.53 240000.00 T= 9706.20 K 2026-04-29 16:49:16,072 INFO - step #175 R -637065.83 -738342.73 -178723.10 280000.00 T= 9691.50 K 2026-04-29 16:49:16,275 INFO - step #176 R -639159.10 -734014.24 -185144.86 280000.00 T= 9676.79 K 2026-04-29 16:49:16,718 INFO - step #177 T -603188.43 -627860.01 -175328.41 200000.00 T= 9632.68 K 2026-04-29 16:49:16,909 INFO - step #178 R -599858.38 -695608.83 -184249.56 280000.00 T= 9617.97 K 2026-04-29 16:49:17,228 INFO - step #179 R -555959.83 -669801.63 -166158.20 280000.00 T= 9588.56 K 2026-04-29 16:49:17,411 INFO - step #180 T -646082.27 -575337.09 -150745.18 80000.00 T= 9573.86 K 2026-04-29 16:49:18,080 INFO - step #181 T -395730.43 -445078.58 -110651.85 160000.00 T= 9500.33 K 2026-04-29 16:49:18,269 INFO - step #182 R -427819.37 -434301.79 -113517.58 120000.00 T= 9485.63 K 2026-04-29 16:49:18,463 INFO - step #183 R -502014.73 -482357.39 -139657.34 120000.00 T= 9470.92 K 2026-04-29 16:49:18,650 INFO - step #184 T -512899.53 -562586.36 -150313.16 200000.00 T= 9456.22 K 2026-04-29 16:49:18,833 INFO - step #185 R -491002.85 -573657.69 -157345.16 240000.00 T= 9441.51 K 2026-04-29 16:49:19,141 INFO - step #186 T -491797.10 -547865.10 -143931.99 200000.00 T= 9412.10 K 2026-04-29 16:49:19,328 INFO - step #187 R -550622.15 -568799.13 -141823.02 160000.00 T= 9397.40 K 2026-04-29 16:49:19,514 INFO - step #188 T -512305.38 -657247.53 -175057.85 320000.00 T= 9382.69 K 2026-04-29 16:49:19,823 INFO - step #189 R -672573.73 -658694.17 -173879.56 160000.00 T= 9353.28 K 2026-04-29 16:49:20,255 INFO - step #190 T -666125.78 -729538.93 -176586.85 240000.00 T= 9309.17 K 2026-04-29 16:49:20,439 INFO - step #191 T -515987.60 -586663.41 -169324.19 240000.00 T= 9294.46 K 2026-04-29 16:49:20,754 INFO - step #192 R -514149.78 -594177.54 -159972.24 240000.00 T= 9265.05 K 2026-04-29 16:49:21,074 INFO - step #193 T -655384.78 -746727.49 -188657.29 280000.00 T= 9235.64 K 2026-04-29 16:49:21,382 INFO - step #194 R -640369.98 -732610.21 -187759.76 280000.00 T= 9206.23 K 2026-04-29 16:49:21,715 INFO - step #195 R -639431.26 -727654.77 -191776.48 280000.00 T= 9176.82 K 2026-04-29 16:49:22,021 INFO - step #196 T -574377.81 -644946.54 -169431.27 240000.00 T= 9147.41 K 2026-04-29 16:49:22,219 INFO - step #197 T -582880.75 -657718.74 -165162.01 240000.00 T= 9132.71 K 2026-04-29 16:49:22,406 INFO - step #198 R -533143.70 -640183.16 -172960.54 280000.00 T= 9118.00 K 2026-04-29 16:49:22,595 INFO - step #199 T -635773.51 -746641.14 -209132.37 320000.00 T= 9103.30 K 2026-04-29 16:49:23,395 INFO - step #200 R -619666.08 -726645.86 -213020.22 320000.00 T= 9015.07 K 2026-04-29 16:49:26,087 INFO - step #201 R -641254.23 -744521.31 -216732.92 320000.00 T= 8985.66 K 2026-04-29 16:49:27,696 INFO - step #202 R -549360.45 -713267.98 -196092.48 360000.00 T= 8970.95 K 2026-04-29 16:49:27,897 INFO - step #203 R -583011.50 -702513.97 -200497.52 320000.00 T= 8956.25 K 2026-04-29 16:49:28,243 INFO - step #204 T -738444.72 -849386.77 -209057.95 320000.00 T= 8926.84 K 2026-04-29 16:49:28,445 INFO - step #205 T -686307.22 -738745.76 -187561.46 240000.00 T= 8912.13 K 2026-04-29 16:49:28,634 INFO - step #206 R -667395.38 -712527.58 -194867.80 240000.00 T= 8897.43 K 2026-04-29 16:49:28,948 INFO - step #207 T -796548.60 -864545.88 -212002.72 280000.00 T= 8868.02 K 2026-04-29 16:49:29,141 INFO - step #208 R -785723.26 -858599.37 -207123.89 280000.00 T= 8853.31 K 2026-04-29 16:49:29,481 INFO - step #209 R -824229.33 -878925.84 -225303.49 280000.00 T= 8823.90 K 2026-04-29 16:49:30,321 INFO - step #210 R -788334.58 -861133.83 -207200.75 280000.00 T= 8735.67 K 2026-04-29 16:49:30,528 INFO - step #211 R -778648.36 -850955.36 -207693.00 280000.00 T= 8720.97 K 2026-04-29 16:49:30,732 INFO - step #212 R -794130.88 -859217.01 -214913.87 280000.00 T= 8706.26 K 2026-04-29 16:49:31,065 INFO - step #213 R -805902.21 -866215.63 -219686.59 280000.00 T= 8676.85 K 2026-04-29 16:49:31,261 INFO - step #214 R -746303.26 -909583.98 -236719.28 400000.00 T= 8662.15 K 2026-04-29 16:49:31,583 INFO - step #215 R -688769.93 -898353.76 -230416.17 440000.00 T= 8632.74 K 2026-04-29 16:49:31,779 INFO - step #216 R -744752.40 -908276.68 -236475.72 400000.00 T= 8618.03 K 2026-04-29 16:49:32,107 INFO - step #217 R -798809.46 -865271.85 -213537.61 280000.00 T= 8588.62 K 2026-04-29 16:49:32,302 INFO - step #218 R -795461.92 -861798.77 -213663.15 280000.00 T= 8573.92 K 2026-04-29 16:49:32,497 INFO - step #219 R -816125.25 -870962.05 -225163.20 280000.00 T= 8559.21 K 2026-04-29 16:49:33,204 INFO - step #220 T -761974.17 -758151.93 -203822.23 200000.00 T= 8485.69 K 2026-04-29 16:49:33,901 INFO - step #221 R -774350.03 -769080.33 -205269.70 200000.00 T= 8412.16 K 2026-04-29 16:49:34,096 INFO - step #222 R -774698.91 -769518.39 -205180.52 200000.00 T= 8397.46 K 2026-04-29 16:49:34,531 INFO - step #223 R -797685.80 -799196.51 -198489.29 200000.00 T= 8353.34 K 2026-04-29 16:49:35,236 INFO - step #224 R -793763.01 -795466.38 -198296.63 200000.00 T= 8279.82 K 2026-04-29 16:49:35,425 INFO - step #225 R -759860.15 -759001.83 -200858.31 200000.00 T= 8265.11 K 2026-04-29 16:49:35,835 INFO - step #226 R -793955.82 -795659.19 -198296.63 200000.00 T= 8235.70 K 2026-04-29 16:49:36,190 INFO - step #227 R -794836.21 -792288.56 -202547.66 200000.00 T= 8206.29 K 2026-04-29 16:49:36,921 INFO - step #228 R -790884.37 -789679.79 -201204.58 200000.00 T= 8132.77 K 2026-04-29 16:49:37,268 INFO - step #229 R -790838.54 -789626.06 -201212.48 200000.00 T= 8103.36 K 2026-04-29 16:49:37,583 INFO - step #230 R -746334.33 -794550.94 -191783.38 240000.00 T= 8073.95 K 2026-04-29 16:49:37,775 INFO - step #231 R -757341.69 -797254.84 -200086.85 240000.00 T= 8059.24 K 2026-04-29 16:49:38,090 INFO - step #232 R -762816.77 -802847.84 -199968.92 240000.00 T= 8029.83 K 2026-04-29 16:49:38,559 INFO - step #233 R -773354.13 -816026.52 -197327.61 240000.00 T= 7985.72 K 2026-04-29 16:49:38,762 INFO - step #234 T -887166.30 -871608.77 -215557.54 200000.00 T= 7971.01 K 2026-04-29 16:49:39,210 INFO - step #235 R -910759.18 -889886.96 -220872.22 200000.00 T= 7926.90 K 2026-04-29 16:49:40,032 INFO - step #236 R -916095.35 -896308.33 -219787.02 200000.00 T= 7838.67 K 2026-04-29 16:49:40,347 INFO - step #237 R -854130.69 -869485.86 -224644.82 240000.00 T= 7809.26 K 2026-04-29 16:49:40,916 INFO - step #238 R -935847.12 -878779.08 -217068.05 160000.00 T= 7750.44 K 2026-04-29 16:49:41,363 INFO - step #239 T -896323.22 -851009.20 -205314.02 160000.00 T= 7706.32 K 2026-04-29 16:49:42,308 INFO - step #240 R -822429.62 -819334.15 -203095.47 200000.00 T= 7603.39 K 2026-04-29 16:49:42,744 INFO - step #241 R -821262.86 -814924.04 -206338.83 200000.00 T= 7559.27 K 2026-04-29 16:49:42,935 INFO - step #242 R -896110.78 -850830.20 -205280.57 160000.00 T= 7544.57 K 2026-04-29 16:49:43,376 INFO - step #243 T -788009.95 -823102.12 -204907.83 240000.00 T= 7500.45 K 2026-04-29 16:49:45,245 INFO - step #244 R -812399.86 -811681.01 -200718.85 200000.00 T= 7485.75 K 2026-04-29 16:49:45,591 INFO - step #245 R -794505.90 -828339.93 -206165.97 240000.00 T= 7456.34 K 2026-04-29 16:49:46,076 INFO - step #246 R -810336.16 -812736.76 -197599.40 200000.00 T= 7412.22 K 2026-04-29 16:49:46,665 INFO - step #247 R -802249.46 -794703.72 -207545.75 200000.00 T= 7353.40 K 2026-04-29 16:49:48,295 INFO - step #248 R -787741.41 -822833.58 -204907.83 240000.00 T= 7176.94 K 2026-04-29 16:49:48,636 INFO - step #249 R -773498.00 -815877.09 -197620.91 240000.00 T= 7147.53 K 2026-04-29 16:49:48,954 INFO - step #250 R -772337.08 -814670.28 -197666.80 240000.00 T= 7118.12 K 2026-04-29 16:49:49,276 INFO - step #251 R -769115.70 -812323.86 -196791.84 240000.00 T= 7088.71 K 2026-04-29 16:49:49,480 INFO - step #252 R -776375.22 -819025.22 -197350.00 240000.00 T= 7074.01 K 2026-04-29 16:49:49,680 INFO - step #253 R -793270.14 -836726.08 -196544.06 240000.00 T= 7059.30 K 2026-04-29 16:49:50,255 INFO - step #254 R -791250.11 -834827.41 -196422.70 240000.00 T= 7000.48 K 2026-04-29 16:49:50,570 INFO - step #255 R -779188.55 -818321.86 -200866.69 240000.00 T= 6971.07 K 2026-04-29 16:49:50,766 INFO - step #256 R -804532.75 -807386.13 -197146.62 200000.00 T= 6956.37 K 2026-04-29 16:49:51,343 INFO - step #257 R -797542.56 -834267.08 -203275.48 240000.00 T= 6897.55 K 2026-04-29 16:49:51,674 INFO - step #258 R -801606.57 -787576.76 -214029.81 200000.00 T= 6868.14 K 2026-04-29 16:49:51,994 INFO - step #259 R -797244.50 -796973.63 -200270.88 200000.00 T= 6838.73 K 2026-04-29 16:49:52,186 INFO - step #260 R -794918.57 -784376.70 -210541.87 200000.00 T= 6824.02 K 2026-04-29 16:49:52,652 INFO - step #261 R -796127.98 -794840.92 -201287.07 200000.00 T= 6779.91 K 2026-04-29 16:49:52,972 INFO - step #262 R -767091.35 -809692.38 -197398.96 240000.00 T= 6750.50 K 2026-04-29 16:49:53,163 INFO - step #263 R -764541.88 -809304.90 -195236.98 240000.00 T= 6735.79 K 2026-04-29 16:49:54,617 INFO - step #264 R -821187.83 -817693.07 -203494.75 200000.00 T= 6574.04 K 2026-04-29 16:49:55,695 INFO - step #265 R -794469.85 -783339.18 -211130.67 200000.00 T= 6456.40 K 2026-04-29 16:49:56,151 INFO - step #266 R -791538.64 -826456.65 -205081.99 240000.00 T= 6412.28 K 2026-04-29 16:49:56,467 INFO - step #267 R -781088.68 -818160.89 -202927.79 240000.00 T= 6382.87 K 2026-04-29 16:49:56,660 INFO - step #268 T -738517.85 -777573.99 -200943.85 240000.00 T= 6368.17 K 2026-04-29 16:49:56,980 INFO - step #269 R -726423.05 -769410.91 -197012.15 240000.00 T= 6338.76 K 2026-04-29 16:49:57,555 INFO - step #270 R -715829.68 -761130.30 -194699.39 240000.00 T= 6279.94 K 2026-04-29 16:49:57,869 INFO - step #271 T -730009.20 -872290.68 -217718.51 360000.00 T= 6250.53 K 2026-04-29 16:49:58,322 INFO - step #272 R -724491.35 -866465.95 -218025.40 360000.00 T= 6206.41 K 2026-04-29 16:49:58,514 INFO - step #273 T -849577.43 -894197.79 -235379.64 280000.00 T= 6191.71 K 2026-04-29 16:49:59,083 INFO - step #274 R -815126.06 -862471.21 -232654.85 280000.00 T= 6132.89 K 2026-04-29 16:49:59,528 INFO - step #275 T -859525.81 -926080.02 -253445.79 320000.00 T= 6088.77 K 2026-04-29 16:50:00,726 INFO - step #276 R -806282.59 -918004.20 -248278.39 360000.00 T= 5956.43 K 2026-04-29 16:50:01,293 INFO - step #277 T -780359.81 -855268.12 -245091.69 320000.00 T= 5897.61 K 2026-04-29 16:50:01,618 INFO - step #278 R -765151.55 -961242.63 -243908.92 440000.00 T= 5868.20 K 2026-04-29 16:50:01,824 INFO - step #279 T -789331.78 -955285.04 -274046.74 440000.00 T= 5853.49 K 2026-04-29 16:50:02,169 INFO - step #280 T -885720.07 -926529.08 -239190.99 280000.00 T= 5824.08 K 2026-04-29 16:50:02,511 INFO - step #281 R -877178.24 -917237.09 -239941.15 280000.00 T= 5794.67 K 2026-04-29 16:50:03,577 INFO - step #282 R -949274.82 -934944.15 -254330.67 240000.00 T= 5691.74 K 2026-04-29 16:50:04,195 INFO - step #283 R -950430.10 -937354.12 -253075.98 240000.00 T= 5632.92 K 2026-04-29 16:50:04,525 INFO - step #284 R -879769.46 -921486.27 -238283.19 280000.00 T= 5603.51 K 2026-04-29 16:50:04,856 INFO - step #285 R -888811.47 -923409.39 -245402.08 280000.00 T= 5574.10 K 2026-04-29 16:50:06,376 INFO - step #286 R -892693.28 -930456.78 -242236.50 280000.00 T= 5412.34 K 2026-04-29 16:50:07,068 INFO - step #287 R -895629.19 -926918.31 -248710.88 280000.00 T= 5338.82 K 2026-04-29 16:50:07,391 INFO - step #288 R -897646.49 -928021.79 -249624.70 280000.00 T= 5309.41 K 2026-04-29 16:50:09,394 INFO - step #289 R -902547.94 -934405.39 -248142.55 280000.00 T= 5088.83 K 2026-04-29 16:50:11,561 INFO - step #290 R -847685.05 -931475.15 -236209.90 320000.00 T= 5074.13 K 2026-04-29 16:50:11,787 INFO - step #291 R -844111.37 -928535.76 -235575.61 320000.00 T= 5059.42 K 2026-04-29 16:50:13,182 INFO - step #292 R -805081.43 -888386.58 -236694.86 320000.00 T= 4927.08 K 2026-04-29 16:50:13,400 INFO - step #293 R -810488.09 -892454.70 -238033.39 320000.00 T= 4912.37 K 2026-04-29 16:50:13,610 INFO - step #294 R -793363.52 -880565.81 -232797.71 320000.00 T= 4897.67 K 2026-04-29 16:50:13,815 INFO - step #295 R -881007.95 -917222.87 -243785.07 280000.00 T= 4882.96 K 2026-04-29 16:50:14,145 INFO - step #296 R -886287.51 -923735.25 -242552.25 280000.00 T= 4853.55 K 2026-04-29 16:50:14,339 INFO - step #297 R -846834.10 -916575.32 -250258.78 320000.00 T= 4838.85 K 2026-04-29 16:50:14,532 INFO - step #298 R -872206.01 -909348.99 -242857.03 280000.00 T= 4824.14 K 2026-04-29 16:50:15,000 INFO - step #299 R -868634.47 -903039.25 -245595.23 280000.00 T= 4780.03 K 2026-04-29 16:50:15,852 INFO - step #300 T -917942.95 -917779.51 -240163.44 240000.00 T= 4691.80 K 2026-04-29 16:50:16,552 INFO - step #301 R -893535.61 -887285.11 -246250.50 240000.00 T= 4618.27 K 2026-04-29 16:50:16,746 INFO - step #302 R -885531.64 -880655.55 -244876.09 240000.00 T= 4603.57 K 2026-04-29 16:50:17,068 INFO - step #303 R -899078.04 -878244.98 -220833.06 200000.00 T= 4574.16 K 2026-04-29 16:50:18,977 INFO - step #304 R -889323.91 -875079.83 -214244.08 200000.00 T= 4368.29 K 2026-04-29 16:50:19,818 INFO - step #305 R -881377.82 -870529.02 -210848.81 200000.00 T= 4280.06 K 2026-04-29 16:50:20,137 INFO - step #306 R -881590.50 -864987.53 -216602.97 200000.00 T= 4250.65 K 2026-04-29 16:50:20,580 INFO - step #307 R -912231.79 -889704.17 -222527.62 200000.00 T= 4206.53 K 2026-04-29 16:50:21,041 INFO - step #308 R -900380.73 -877853.10 -222527.62 200000.00 T= 4162.42 K 2026-04-29 16:50:21,488 INFO - step #309 R -883308.42 -866797.50 -216510.92 200000.00 T= 4118.30 K 2026-04-29 16:50:21,928 INFO - step #310 R -883269.32 -864987.53 -218281.79 200000.00 T= 4074.19 K 2026-04-29 16:50:22,118 INFO - step #311 R -855176.48 -826881.74 -228294.74 200000.00 T= 4059.48 K 2026-04-29 16:50:22,695 INFO - step #312 R -857566.32 -829271.58 -228294.74 200000.00 T= 4000.66 K 2026-04-29 16:50:22,903 INFO - step #313 R -866412.91 -836613.75 -229799.17 200000.00 T= 3985.96 K 2026-04-29 16:50:24,254 INFO - step #314 R -866412.91 -836613.75 -229799.17 200000.00 T= 3838.91 K 2026-04-29 16:50:24,446 INFO - step #315 R -874590.97 -864979.06 -209611.92 200000.00 T= 3824.20 K 2026-04-29 16:50:24,762 INFO - step #316 R -908009.54 -886118.42 -221891.12 200000.00 T= 3794.79 K 2026-04-29 16:50:24,955 INFO - step #317 T -824506.98 -872045.18 -232461.80 280000.00 T= 3780.09 K 2026-04-29 16:50:27,523 INFO - start - parameters: File name /home/rpdock/web/media/jobs/86f6fa93-7be4-4e99-8f2a-ddfca4cdd3f2//ref_struc/na-prot_9950/na-prot_9950.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-04-29 16:50:28,305 INFO - step #1 T -494296.01 -956035.60 -218260.41 680000.00 T= 15000.00 K 2026-04-29 16:50:28,496 INFO - step #2 R -742009.46 -949535.79 -232473.67 440000.00 T= 14985.30 K 2026-04-29 16:50:28,684 INFO - step #3 R -571592.55 -934716.91 -236875.64 600000.00 T= 14970.59 K 2026-04-29 16:50:29,009 INFO - step #4 R -524538.32 -926624.86 -237913.46 640000.00 T= 14941.18 K 2026-04-29 16:50:29,206 INFO - step #5 T -599519.50 -988741.52 -250777.97 640000.00 T= 14926.48 K 2026-04-29 16:50:29,996 INFO - step #6 R -640857.96 -991850.78 -249007.18 600000.00 T= 14852.95 K 2026-04-29 16:50:30,451 INFO - step #7 R -807783.25 -989230.87 -258552.38 440000.00 T= 14808.84 K 2026-04-29 16:50:31,439 INFO - step #8 R -811202.03 -993319.64 -257882.39 440000.00 T= 14705.90 K 2026-04-29 16:50:31,643 INFO - step #9 R -760908.03 -955600.11 -245307.93 440000.00 T= 14691.20 K 2026-04-29 16:50:32,779 INFO - step #10 T -677823.89 -891716.83 -226107.06 440000.00 T= 14573.56 K 2026-04-29 16:50:33,066 INFO - step #11 R -736525.47 -935741.15 -240784.32 440000.00 T= 14558.85 K 2026-04-29 16:50:33,652 INFO - step #12 T -668468.52 -842342.93 -226125.59 400000.00 T= 14500.03 K 2026-04-29 16:50:33,843 INFO - step #13 R -602114.69 -849304.32 -232810.37 480000.00 T= 14485.33 K 2026-04-29 16:50:34,290 INFO - step #14 R -779094.53 -836303.01 -222791.52 280000.00 T= 14441.21 K 2026-04-29 16:50:34,738 INFO - step #15 R -671340.50 -857153.98 -214186.52 400000.00 T= 14397.10 K 2026-04-29 16:50:34,930 INFO - step #16 R -703843.47 -858470.19 -205373.28 360000.00 T= 14382.39 K 2026-04-29 16:50:35,254 INFO - step #17 R -731899.61 -793474.09 -218425.52 280000.00 T= 14367.69 K 2026-04-29 16:50:35,839 INFO - step #18 R -747480.72 -809740.66 -217740.06 280000.00 T= 14308.87 K 2026-04-29 16:50:36,031 INFO - step #19 R -668837.46 -857799.29 -211038.17 400000.00 T= 14294.16 K 2026-04-29 16:50:36,222 INFO - step #20 R -736833.35 -875658.47 -221174.87 360000.00 T= 14279.46 K 2026-04-29 16:50:36,419 INFO - step #21 R -726234.87 -870933.31 -215301.56 360000.00 T= 14264.75 K 2026-04-29 16:50:37,021 INFO - step #22 T -813998.93 -768761.58 -165237.34 120000.00 T= 14205.93 K 2026-04-29 16:50:37,877 INFO - step #23 R -804850.55 -762185.98 -162664.57 120000.00 T= 14132.41 K 2026-04-29 16:50:38,307 INFO - step #24 R -642205.47 -682446.94 -159758.54 200000.00 T= 14088.29 K 2026-04-29 16:50:38,618 INFO - step #25 R -657804.16 -698579.51 -159224.65 200000.00 T= 14058.88 K 2026-04-29 16:50:38,930 INFO - step #26 T -640678.66 -686324.60 -154354.06 200000.00 T= 14029.47 K 2026-04-29 16:50:39,238 INFO - step #27 R -584840.45 -662908.47 -161931.98 240000.00 T= 14000.06 K 2026-04-29 16:50:39,540 INFO - step #28 T -470206.94 -541240.78 -128966.16 200000.00 T= 13970.65 K 2026-04-29 16:50:39,923 INFO - step #29 T -522943.43 -615158.38 -147785.05 240000.00 T= 13955.95 K 2026-04-29 16:50:40,228 INFO - step #30 T -531754.38 -615930.62 -155823.76 240000.00 T= 13926.54 K 2026-04-29 16:50:40,417 INFO - step #31 T -514803.18 -751159.55 -203643.63 440000.00 T= 13911.83 K 2026-04-29 16:50:40,608 INFO - step #32 R -478343.43 -744822.83 -213520.60 480000.00 T= 13897.13 K 2026-04-29 16:50:40,803 INFO - step #33 T -613754.38 -827134.71 -226619.67 440000.00 T= 13882.42 K 2026-04-29 16:50:40,998 INFO - step #34 T -623968.44 -856564.76 -247403.68 480000.00 T= 13867.72 K 2026-04-29 16:50:41,191 INFO - step #35 R -563634.57 -841260.07 -242374.49 520000.00 T= 13853.01 K 2026-04-29 16:50:41,625 INFO - step #36 R -618049.08 -853805.62 -244243.46 480000.00 T= 13838.31 K 2026-04-29 16:50:41,944 INFO - step #37 R -618049.08 -853805.62 -244243.46 480000.00 T= 13808.90 K 2026-04-29 16:50:42,393 INFO - step #38 R -553047.48 -879609.29 -233438.19 560000.00 T= 13764.78 K 2026-04-29 16:50:42,595 INFO - step #39 T -419450.77 -821542.28 -197908.48 600000.00 T= 13750.08 K 2026-04-29 16:50:42,788 INFO - step #40 R -485589.04 -799997.48 -205591.56 520000.00 T= 13735.37 K 2026-04-29 16:50:43,105 INFO - step #41 R -442454.81 -870052.50 -212402.31 640000.00 T= 13705.96 K 2026-04-29 16:50:43,559 INFO - step #42 T -356985.54 -811480.57 -185504.98 640000.00 T= 13661.85 K 2026-04-29 16:50:43,872 INFO - step #43 T -361959.51 -717171.43 -164788.08 520000.00 T= 13632.44 K 2026-04-29 16:50:44,060 INFO - step #44 T -399164.12 -707516.07 -171648.05 480000.00 T= 13617.73 K 2026-04-29 16:50:44,675 INFO - step #45 T -313314.58 -795360.91 -197953.66 680000.00 T= 13588.32 K 2026-04-29 16:50:44,864 INFO - step #46 T -584193.40 -725651.31 -178542.09 320000.00 T= 13573.62 K 2026-04-29 16:50:45,689 INFO - step #47 R -547921.54 -697859.68 -170061.86 320000.00 T= 13485.39 K 2026-04-29 16:50:46,000 INFO - step #48 T -448344.63 -728276.69 -160067.95 440000.00 T= 13455.98 K 2026-04-29 16:50:46,308 INFO - step #49 R -450296.91 -731419.83 -158877.08 440000.00 T= 13426.57 K 2026-04-29 16:50:46,739 INFO - step #50 R -393786.73 -713520.81 -160265.93 480000.00 T= 13382.45 K 2026-04-29 16:50:46,925 INFO - step #51 R -559546.71 -713596.23 -165950.48 320000.00 T= 13367.75 K 2026-04-29 16:50:47,230 INFO - step #52 T -385434.56 -705247.98 -160186.58 480000.00 T= 13338.34 K 2026-04-29 16:50:47,413 INFO - step #53 R -462111.75 -644557.85 -177553.90 360000.00 T= 13323.63 K 2026-04-29 16:50:47,600 INFO - step #54 R -607184.83 -685104.60 -162080.24 240000.00 T= 13308.93 K 2026-04-29 16:50:47,789 INFO - step #55 T -580565.76 -661901.02 -158664.74 240000.00 T= 13294.22 K 2026-04-29 16:50:48,356 INFO - step #56 R -581892.62 -663410.57 -158482.05 240000.00 T= 13279.52 K 2026-04-29 16:50:48,546 INFO - step #57 R -589065.29 -667567.44 -161497.85 240000.00 T= 13264.81 K 2026-04-29 16:50:48,739 INFO - step #58 T -536504.06 -598160.16 -138343.90 200000.00 T= 13250.11 K 2026-04-29 16:50:49,052 INFO - step #59 R -564129.01 -617450.29 -146678.72 200000.00 T= 13220.70 K 2026-04-29 16:50:49,374 INFO - step #60 R -555546.48 -608887.89 -146658.59 200000.00 T= 13191.29 K 2026-04-29 16:50:50,043 INFO - step #61 R -558250.68 -610346.81 -147903.87 200000.00 T= 13117.76 K 2026-04-29 16:50:50,468 INFO - step #62 R -552654.77 -607188.50 -145466.27 200000.00 T= 13073.65 K 2026-04-29 16:50:50,654 INFO - step #63 T -593226.64 -662304.35 -170922.29 240000.00 T= 13058.94 K 2026-04-29 16:50:50,842 INFO - step #64 R -534187.15 -681431.82 -172755.32 320000.00 T= 13044.24 K 2026-04-29 16:50:51,153 INFO - step #65 T -512521.43 -756146.10 -196375.33 440000.00 T= 13014.83 K 2026-04-29 16:50:51,342 INFO - step #66 R -540492.93 -748936.58 -191556.36 400000.00 T= 13000.12 K 2026-04-29 16:50:51,656 INFO - step #67 R -503604.03 -815680.22 -207923.81 520000.00 T= 12970.71 K 2026-04-29 16:50:51,969 INFO - step #68 R -532795.36 -742283.27 -190512.09 400000.00 T= 12941.30 K 2026-04-29 16:50:52,742 INFO - step #69 R -496355.57 -808472.68 -207882.90 520000.00 T= 12911.89 K 2026-04-29 16:50:53,066 INFO - step #70 R -470306.35 -762872.63 -187433.72 480000.00 T= 12882.48 K 2026-04-29 16:50:53,254 INFO - step #71 T -553578.04 -828293.23 -205284.81 480000.00 T= 12867.78 K 2026-04-29 16:50:53,568 INFO - step #72 T -656561.42 -803954.73 -212606.70 360000.00 T= 12838.37 K 2026-04-29 16:50:53,771 INFO - step #73 R -556086.67 -809214.79 -186871.87 440000.00 T= 12823.66 K 2026-04-29 16:50:53,979 INFO - step #74 T -591814.71 -761180.87 -190633.84 360000.00 T= 12808.96 K 2026-04-29 16:50:54,301 INFO - step #75 R -617537.27 -737587.84 -199949.44 320000.00 T= 12779.55 K 2026-04-29 16:50:54,496 INFO - step #76 R -616063.21 -737587.84 -198475.37 320000.00 T= 12764.84 K 2026-04-29 16:50:54,713 INFO - step #77 R -623505.53 -746585.36 -196920.17 320000.00 T= 12750.14 K 2026-04-29 16:50:55,037 INFO - step #78 T -519228.72 -806183.46 -193045.26 480000.00 T= 12720.73 K 2026-04-29 16:50:55,226 INFO - step #79 R -455982.22 -732324.56 -203657.67 480000.00 T= 12706.02 K 2026-04-29 16:50:55,426 INFO - step #80 T -437403.35 -785500.31 -211903.04 560000.00 T= 12691.32 K 2026-04-29 16:50:55,614 INFO - step #81 R -545007.11 -707463.49 -197543.62 360000.00 T= 12676.61 K 2026-04-29 16:50:55,806 INFO - step #82 R -560788.64 -760388.82 -200399.82 400000.00 T= 12661.91 K 2026-04-29 16:50:55,994 INFO - step #83 T -601338.45 -760397.46 -200940.99 360000.00 T= 12647.20 K 2026-04-29 16:50:56,183 INFO - step #84 R -547578.56 -715874.71 -191703.85 360000.00 T= 12632.50 K 2026-04-29 16:50:56,932 INFO - step #85 R -537173.36 -743170.31 -194003.05 400000.00 T= 12617.79 K 2026-04-29 16:50:57,119 INFO - step #86 R -496494.71 -709658.26 -186836.45 400000.00 T= 12603.09 K 2026-04-29 16:50:57,307 INFO - step #87 R -529547.24 -735507.03 -194040.22 400000.00 T= 12588.38 K 2026-04-29 16:50:57,998 INFO - step #88 T -413129.64 -707544.33 -185585.31 480000.00 T= 12514.86 K 2026-04-29 16:50:58,190 INFO - step #89 T -418890.19 -693398.55 -165491.63 440000.00 T= 12500.15 K 2026-04-29 16:50:58,388 INFO - step #90 T -505019.33 -758571.21 -186448.12 440000.00 T= 12485.45 K 2026-04-29 16:50:58,581 INFO - step #91 R -623226.99 -718302.19 -184924.79 280000.00 T= 12470.74 K 2026-04-29 16:50:58,775 INFO - step #92 R -612647.66 -739440.59 -193207.08 320000.00 T= 12456.04 K 2026-04-29 16:50:58,966 INFO - step #93 R -643003.40 -728355.87 -194647.53 280000.00 T= 12441.33 K 2026-04-29 16:50:59,403 INFO - step #94 T -510293.14 -721783.55 -188509.60 400000.00 T= 12397.22 K 2026-04-29 16:50:59,843 INFO - step #95 T -533904.78 -751631.22 -182273.55 400000.00 T= 12353.10 K 2026-04-29 16:51:00,160 INFO - step #96 R -526783.55 -745768.70 -181014.84 400000.00 T= 12323.69 K 2026-04-29 16:51:00,361 INFO - step #97 T -522453.06 -872958.32 -209494.74 560000.00 T= 12308.99 K 2026-04-29 16:51:00,558 INFO - step #98 T -568523.55 -873673.41 -214850.14 520000.00 T= 12294.28 K 2026-04-29 16:51:01,284 INFO - step #99 R -569916.99 -875726.00 -214191.00 520000.00 T= 12220.76 K 2026-04-29 16:51:01,474 INFO - step #100 R -569740.06 -875649.22 -214090.84 520000.00 T= 12206.05 K 2026-04-29 16:51:02,627 INFO - step #101 R -545885.35 -858166.29 -207719.06 520000.00 T= 12088.41 K 2026-04-29 16:51:03,810 INFO - step #102 T -516785.55 -766182.28 -190603.27 440000.00 T= 11970.77 K 2026-04-29 16:51:05,775 INFO - step #103 R -376873.72 -779885.73 -196988.00 600000.00 T= 11838.43 K 2026-04-29 16:51:05,967 INFO - step #104 T -643945.61 -796977.58 -206968.03 360000.00 T= 11823.72 K 2026-04-29 16:51:06,659 INFO - step #105 T -648956.42 -761246.63 -207709.79 320000.00 T= 11750.20 K 2026-04-29 16:51:07,102 INFO - step #106 T -636723.07 -825241.34 -211481.73 400000.00 T= 11706.08 K 2026-04-29 16:51:07,293 INFO - step #107 T -601093.43 -762043.91 -199049.52 360000.00 T= 11691.38 K 2026-04-29 16:51:07,483 INFO - step #108 R -600786.65 -758663.59 -202123.06 360000.00 T= 11676.67 K 2026-04-29 16:51:07,678 INFO - step #109 T -663303.24 -797590.90 -225712.34 360000.00 T= 11661.97 K 2026-04-29 16:51:07,875 INFO - step #110 T -619970.13 -806889.63 -253080.49 440000.00 T= 11647.26 K 2026-04-29 16:51:08,070 INFO - step #111 T -589420.40 -871167.51 -238252.88 520000.00 T= 11632.56 K 2026-04-29 16:51:08,283 INFO - step #112 T -627597.14 -775818.38 -211778.76 360000.00 T= 11617.85 K 2026-04-29 16:51:08,479 INFO - step #113 T -719070.41 -696092.27 -182978.14 160000.00 T= 11603.15 K 2026-04-29 16:51:08,792 INFO - step #114 T -505286.33 -652335.52 -172950.81 320000.00 T= 11573.74 K 2026-04-29 16:51:09,110 INFO - step #115 T -601061.65 -631642.55 -169419.10 200000.00 T= 11544.33 K 2026-04-29 16:51:09,298 INFO - step #116 T -756915.56 -764460.33 -192455.23 200000.00 T= 11529.62 K 2026-04-29 16:51:09,484 INFO - step #117 R -757311.80 -764856.57 -192455.23 200000.00 T= 11514.92 K 2026-04-29 16:51:10,417 INFO - step #118 R -760173.16 -764636.41 -195536.75 200000.00 T= 11411.98 K 2026-04-29 16:51:10,967 INFO - step #119 T -677159.85 -805166.19 -231993.66 360000.00 T= 11353.16 K 2026-04-29 16:51:11,153 INFO - step #120 R -729234.81 -770522.57 -198712.24 240000.00 T= 11338.46 K 2026-04-29 16:51:11,339 INFO - step #121 T -717015.65 -761496.99 -195518.66 240000.00 T= 11323.75 K 2026-04-29 16:51:11,777 INFO - step #122 R -738282.25 -739452.96 -198829.28 200000.00 T= 11279.64 K 2026-04-29 16:51:11,965 INFO - step #123 R -720413.46 -763503.00 -196910.46 240000.00 T= 11264.93 K 2026-04-29 16:51:12,151 INFO - step #124 R -712436.78 -758734.55 -193702.23 240000.00 T= 11250.23 K 2026-04-29 16:51:13,294 INFO - step #125 T -711961.49 -745611.56 -206349.93 240000.00 T= 11220.82 K 2026-04-29 16:51:13,627 INFO - step #126 R -701694.23 -740540.45 -201153.78 240000.00 T= 11191.41 K 2026-04-29 16:51:13,947 INFO - step #127 T -763580.92 -760208.40 -203372.53 200000.00 T= 11162.00 K 2026-04-29 16:51:14,391 INFO - step #128 T -739145.41 -718136.02 -181009.39 160000.00 T= 11117.88 K 2026-04-29 16:51:14,705 INFO - step #129 T -650967.63 -675889.68 -175077.95 200000.00 T= 11088.47 K 2026-04-29 16:51:15,027 INFO - step #130 R -629294.37 -683269.45 -186024.92 240000.00 T= 11059.06 K 2026-04-29 16:51:15,460 INFO - step #131 R -508016.33 -632268.61 -155747.72 280000.00 T= 11014.95 K 2026-04-29 16:51:15,787 INFO - step #132 R -609031.15 -670320.77 -178710.38 240000.00 T= 10985.54 K 2026-04-29 16:51:16,244 INFO - step #133 R -657137.56 -707774.98 -189362.58 240000.00 T= 10941.42 K 2026-04-29 16:51:16,435 INFO - step #134 R -601019.47 -707173.22 -173846.25 280000.00 T= 10926.72 K 2026-04-29 16:51:16,750 INFO - step #135 T -453346.39 -696565.25 -196781.15 440000.00 T= 10897.31 K 2026-04-29 16:51:17,060 INFO - step #136 T -590864.48 -586299.13 -164565.35 160000.00 T= 10867.90 K 2026-04-29 16:51:17,749 INFO - step #137 R -544296.87 -585101.77 -159195.11 200000.00 T= 10794.37 K 2026-04-29 16:51:18,186 INFO - step #138 R -560305.43 -597644.36 -162661.07 200000.00 T= 10750.26 K 2026-04-29 16:51:18,869 INFO - step #139 R -408955.55 -630489.14 -178466.41 400000.00 T= 10676.73 K 2026-04-29 16:51:19,053 INFO - step #140 R -549428.19 -588072.48 -161355.71 200000.00 T= 10662.03 K 2026-04-29 16:51:19,244 INFO - step #141 T -529681.60 -694505.00 -195176.60 360000.00 T= 10647.32 K 2026-04-29 16:51:20,437 INFO - step #142 T -550133.05 -611544.26 -178588.78 240000.00 T= 10514.98 K 2026-04-29 16:51:20,744 INFO - step #143 R -633443.00 -664130.15 -169312.85 200000.00 T= 10485.57 K 2026-04-29 16:51:21,662 INFO - step #144 R -665717.08 -645979.99 -179737.09 160000.00 T= 10382.63 K 2026-04-29 16:51:22,695 INFO - step #145 R -550105.51 -613863.85 -176241.66 240000.00 T= 10264.99 K 2026-04-29 16:51:23,369 INFO - step #146 R -430933.50 -645514.82 -185418.68 400000.00 T= 10191.47 K 2026-04-29 16:51:23,552 INFO - step #147 R -426139.57 -653250.14 -172889.42 400000.00 T= 10176.76 K 2026-04-29 16:51:23,739 INFO - step #148 R -391139.29 -622659.50 -168479.79 400000.00 T= 10162.06 K 2026-04-29 16:51:23,924 INFO - step #149 T -380538.03 -771725.87 -208812.15 600000.00 T= 10147.35 K 2026-04-29 16:51:25,095 INFO - step #150 T -516662.17 -757110.13 -199552.04 440000.00 T= 10132.65 K 2026-04-29 16:51:25,438 INFO - step #151 T -515826.50 -821386.73 -214439.78 520000.00 T= 10103.24 K 2026-04-29 16:51:25,779 INFO - step #152 R -684522.95 -826725.57 -217797.38 360000.00 T= 10073.83 K 2026-04-29 16:51:26,990 INFO - step #153 R -682091.80 -824622.73 -217469.07 360000.00 T= 9941.48 K 2026-04-29 16:51:27,183 INFO - step #154 R -674834.20 -845240.14 -229594.06 400000.00 T= 9926.78 K 2026-04-29 16:51:27,373 INFO - step #155 T -722419.13 -853375.14 -229043.99 360000.00 T= 9912.07 K 2026-04-29 16:51:27,563 INFO - step #156 R -723704.47 -849219.54 -234484.93 360000.00 T= 9897.37 K 2026-04-29 16:51:28,005 INFO - step #157 R -691479.05 -824185.82 -227293.23 360000.00 T= 9853.25 K 2026-04-29 16:51:28,852 INFO - step #158 R -691024.11 -854777.37 -236246.74 400000.00 T= 9765.02 K 2026-04-29 16:51:29,169 INFO - step #159 R -684866.25 -857600.95 -227265.30 400000.00 T= 9735.61 K 2026-04-29 16:51:29,484 INFO - step #160 R -684918.52 -852198.15 -232720.38 400000.00 T= 9706.20 K 2026-04-29 16:51:29,805 INFO - step #161 T -686078.77 -922841.28 -243237.49 480000.00 T= 9676.79 K 2026-04-29 16:51:30,254 INFO - step #162 R -680582.99 -828473.46 -212109.52 360000.00 T= 9632.68 K 2026-04-29 16:51:30,588 INFO - step #163 R -682169.36 -923700.27 -238469.09 480000.00 T= 9603.27 K 2026-04-29 16:51:30,785 INFO - step #164 R -688033.26 -929564.18 -238469.09 480000.00 T= 9588.56 K 2026-04-29 16:51:30,978 INFO - step #165 R -698557.11 -936608.70 -241948.41 480000.00 T= 9573.86 K 2026-04-29 16:51:31,173 INFO - step #166 R -695098.41 -929999.47 -245098.94 480000.00 T= 9559.15 K 2026-04-29 16:51:31,366 INFO - step #167 R -689434.76 -937793.90 -231640.86 480000.00 T= 9544.45 K 2026-04-29 16:51:32,340 INFO - step #168 R -689198.48 -927250.08 -241948.41 480000.00 T= 9441.51 K 2026-04-29 16:51:32,674 INFO - step #169 R -627251.62 -909339.92 -237911.70 520000.00 T= 9412.10 K 2026-04-29 16:51:33,255 INFO - step #170 T -587965.86 -874592.08 -233373.78 520000.00 T= 9353.28 K 2026-04-29 16:51:33,832 INFO - step #171 T -800216.57 -947235.42 -252981.15 400000.00 T= 9294.46 K 2026-04-29 16:51:34,026 INFO - step #172 R -805537.47 -951742.10 -253795.37 400000.00 T= 9279.76 K 2026-04-29 16:51:34,221 INFO - step #173 R -810960.15 -957164.78 -253795.37 400000.00 T= 9265.05 K 2026-04-29 16:51:34,804 INFO - step #174 R -813245.45 -955146.55 -258098.90 400000.00 T= 9206.23 K 2026-04-29 16:51:35,244 INFO - step #175 R -705073.80 -938145.33 -246928.47 480000.00 T= 9162.12 K 2026-04-29 16:51:35,431 INFO - step #176 R -799224.99 -949328.24 -249896.75 400000.00 T= 9147.41 K 2026-04-29 16:51:35,619 INFO - step #177 R -778173.97 -932613.46 -245560.50 400000.00 T= 9132.71 K 2026-04-29 16:51:36,323 INFO - step #178 R -787557.67 -941951.56 -245606.10 400000.00 T= 9059.18 K 2026-04-29 16:51:37,039 INFO - step #179 T -691638.66 -922086.49 -249552.17 480000.00 T= 8985.66 K 2026-04-29 16:51:37,470 INFO - step #180 R -779458.34 -894642.79 -244815.55 360000.00 T= 8941.54 K 2026-04-29 16:51:37,653 INFO - step #181 T -735029.69 -875241.88 -219787.81 360000.00 T= 8926.84 K 2026-04-29 16:51:39,060 INFO - step #182 R -752207.63 -882649.96 -229557.67 360000.00 T= 8912.13 K 2026-04-29 16:51:39,395 INFO - step #183 R -707052.62 -817004.91 -210047.71 320000.00 T= 8882.72 K 2026-04-29 16:51:39,591 INFO - step #184 R -706833.59 -816785.88 -210047.71 320000.00 T= 8868.02 K 2026-04-29 16:51:39,779 INFO - step #185 T -673012.87 -788183.13 -204829.74 320000.00 T= 8853.31 K 2026-04-29 16:51:40,328 INFO - step #186 T -545951.94 -716290.11 -189661.83 360000.00 T= 8794.49 K 2026-04-29 16:51:40,511 INFO - step #187 T -731104.87 -719488.60 -171616.27 160000.00 T= 8779.79 K 2026-04-29 16:51:40,941 INFO - step #188 T -673191.41 -782160.47 -211030.93 320000.00 T= 8735.67 K 2026-04-29 16:51:41,126 INFO - step #189 T -616723.43 -659947.27 -156776.16 200000.00 T= 8720.97 K 2026-04-29 16:51:41,360 INFO - step #190 R -617476.82 -660454.23 -157022.60 200000.00 T= 8706.26 K 2026-04-29 16:51:41,544 INFO - step #191 R -669169.51 -679033.63 -150135.88 160000.00 T= 8691.56 K 2026-04-29 16:51:41,752 INFO - step #192 R -652346.39 -671788.29 -180558.11 200000.00 T= 8676.85 K 2026-04-29 16:51:42,098 INFO - step #193 R -673278.16 -681645.94 -151632.22 160000.00 T= 8647.44 K 2026-04-29 16:51:43,141 INFO - step #194 R -661148.41 -667454.03 -153694.39 160000.00 T= 8529.80 K 2026-04-29 16:51:43,347 INFO - step #195 T -647546.13 -654484.07 -153062.06 160000.00 T= 8515.10 K 2026-04-29 16:51:43,663 INFO - step #196 T -687411.50 -683499.69 -163911.81 160000.00 T= 8485.69 K 2026-04-29 16:51:43,848 INFO - step #197 R -687411.50 -683499.69 -163911.81 160000.00 T= 8470.98 K 2026-04-29 16:51:44,160 INFO - step #198 T -773366.49 -712793.42 -180573.08 120000.00 T= 8441.57 K 2026-04-29 16:51:44,688 INFO - step #199 T -756832.44 -749486.12 -207346.32 200000.00 T= 8397.46 K 2026-04-29 16:51:45,171 INFO - step #200 R -738071.24 -828716.20 -229355.04 320000.00 T= 8353.34 K 2026-04-29 16:51:48,203 INFO - step #201 T -715573.11 -831975.62 -243597.49 360000.00 T= 8294.52 K 2026-04-29 16:51:48,524 INFO - step #202 R -719372.90 -837952.44 -241420.47 360000.00 T= 8265.11 K 2026-04-29 16:51:48,973 INFO - step #203 T -796152.58 -845397.32 -230755.26 280000.00 T= 8221.00 K 2026-04-29 16:51:50,781 INFO - step #204 R -736046.04 -825537.25 -230508.79 320000.00 T= 8015.13 K 2026-04-29 16:51:50,969 INFO - step #205 R -625067.25 -835295.40 -229771.85 440000.00 T= 8000.42 K 2026-04-29 16:51:51,157 INFO - step #206 T -624070.17 -782958.82 -201111.36 360000.00 T= 7985.72 K 2026-04-29 16:51:52,202 INFO - step #207 R -631969.79 -784280.37 -207689.42 360000.00 T= 7868.08 K 2026-04-29 16:51:52,389 INFO - step #208 R -668821.47 -811073.99 -217747.49 360000.00 T= 7853.37 K 2026-04-29 16:51:52,579 INFO - step #209 T -551918.22 -875288.82 -236629.41 560000.00 T= 7838.67 K 2026-04-29 16:51:52,907 INFO - step #210 R -650849.83 -932695.65 -238154.18 520000.00 T= 7809.26 K 2026-04-29 16:51:53,232 INFO - step #211 R -715221.11 -895013.24 -220207.87 400000.00 T= 7779.85 K 2026-04-29 16:51:53,550 INFO - step #212 R -785037.11 -921995.61 -223041.50 360000.00 T= 7750.44 K 2026-04-29 16:51:59,693 INFO - step #213 R -713402.25 -891806.17 -221596.08 400000.00 T= 7059.30 K 2026-04-29 16:51:59,888 INFO - step #214 R -807098.83 -930554.27 -236544.56 360000.00 T= 7044.60 K 2026-04-29 16:52:00,597 INFO - step #215 T -758885.76 -1012610.74 -266275.02 520000.00 T= 6971.07 K 2026-04-29 16:52:00,924 INFO - step #216 T -750620.33 -886381.24 -224239.09 360000.00 T= 6941.66 K 2026-04-29 16:52:02,969 INFO - step #217 R -675018.70 -861750.60 -213268.11 400000.00 T= 6897.55 K 2026-04-29 16:52:03,858 INFO - step #218 T -682121.57 -919333.33 -242788.24 480000.00 T= 6824.02 K 2026-04-29 16:52:04,079 INFO - step #219 T -781167.41 -962830.95 -258336.45 440000.00 T= 6809.32 K 2026-04-29 16:52:04,293 INFO - step #220 R -781058.73 -962722.27 -258336.45 440000.00 T= 6794.61 K 2026-04-29 16:52:04,493 INFO - step #221 R -756674.54 -945763.06 -250911.48 440000.00 T= 6779.91 K 2026-04-29 16:52:04,960 INFO - step #222 T -805877.78 -981940.02 -263937.76 440000.00 T= 6735.79 K 2026-04-29 16:52:05,163 INFO - step #223 T -535050.52 -924652.86 -250397.67 640000.00 T= 6721.09 K 2026-04-29 16:52:05,363 INFO - step #224 R -415640.95 -870911.83 -224729.13 680000.00 T= 6706.38 K 2026-04-29 16:52:05,696 INFO - step #225 R -419512.33 -874922.04 -224590.29 680000.00 T= 6676.97 K 2026-04-29 16:52:06,044 INFO - step #226 T -470904.29 -902705.98 -248198.31 680000.00 T= 6647.56 K 2026-04-29 16:52:06,242 INFO - step #227 R -771015.19 -986661.37 -264353.82 480000.00 T= 6632.86 K 2026-04-29 16:52:07,125 INFO - step #228 T -710888.12 -965074.38 -265813.74 520000.00 T= 6544.63 K 2026-04-29 16:52:07,329 INFO - step #229 R -719517.36 -970684.89 -268832.47 520000.00 T= 6529.92 K 2026-04-29 16:52:08,669 INFO - step #230 R -776445.12 -991321.21 -265123.90 480000.00 T= 6397.58 K 2026-04-29 16:52:09,294 INFO - step #231 T -815323.81 -1019281.17 -276042.64 480000.00 T= 6338.76 K 2026-04-29 16:52:09,909 INFO - step #232 T -853261.76 -916348.97 -256912.79 320000.00 T= 6279.94 K 2026-04-29 16:52:10,376 INFO - step #233 R -847704.88 -922118.43 -245586.44 320000.00 T= 6235.82 K 2026-04-29 16:52:11,257 INFO - step #234 R -850890.04 -925695.69 -245194.34 320000.00 T= 6147.59 K 2026-04-29 16:52:11,595 INFO - step #235 R -858668.18 -933473.83 -245194.34 320000.00 T= 6118.18 K 2026-04-29 16:52:13,801 INFO - step #236 R -787571.97 -907811.28 -239760.69 360000.00 T= 5882.90 K 2026-04-29 16:52:14,002 INFO - step #237 T -664085.50 -902855.60 -241229.90 480000.00 T= 5868.20 K 2026-04-29 16:52:14,332 INFO - step #238 T -862865.04 -1006954.69 -255910.35 400000.00 T= 5838.79 K 2026-04-29 16:52:15,198 INFO - step #239 R -856927.43 -993246.22 -263681.21 400000.00 T= 5750.56 K 2026-04-29 16:52:15,401 INFO - step #240 R -850394.77 -997014.55 -253380.22 400000.00 T= 5735.85 K 2026-04-29 16:52:17,079 INFO - step #241 T -816982.60 -942316.67 -234665.92 360000.00 T= 5559.39 K 2026-04-29 16:52:17,698 INFO - step #242 R -820549.40 -904061.17 -236488.22 320000.00 T= 5500.57 K 2026-04-29 16:52:18,442 INFO - step #243 T -786101.08 -835841.52 -230259.56 280000.00 T= 5427.05 K 2026-04-29 16:52:18,781 INFO - step #244 R -788804.28 -837817.54 -230986.75 280000.00 T= 5397.64 K 2026-04-29 16:52:18,981 INFO - step #245 R -812188.95 -859206.99 -232981.96 280000.00 T= 5382.93 K 2026-04-29 16:52:19,176 INFO - step #246 R -754532.27 -845663.63 -228868.63 320000.00 T= 5368.23 K 2026-04-29 16:52:19,383 INFO - step #247 R -760556.36 -850501.06 -230055.30 320000.00 T= 5353.52 K 2026-04-29 16:52:20,414 INFO - step #248 R -801061.09 -898512.89 -222548.20 320000.00 T= 5250.59 K 2026-04-29 16:52:24,389 INFO - step #249 R -802566.25 -852068.40 -230497.85 280000.00 T= 4809.44 K 2026-04-29 16:52:24,714 INFO - step #250 R -809370.50 -903689.03 -225681.47 320000.00 T= 4780.03 K 2026-04-29 16:52:24,919 INFO - step #251 R -738758.21 -888376.70 -210381.51 360000.00 T= 4765.32 K 2026-04-29 16:52:25,367 INFO - step #252 R -813034.03 -907256.10 -225777.94 320000.00 T= 4721.21 K 2026-04-29 16:52:27,752 INFO - step #253 T -774917.23 -810148.81 -204768.42 240000.00 T= 4456.52 K 2026-04-29 16:52:27,943 INFO - step #254 R -779336.78 -811830.82 -207505.96 240000.00 T= 4441.81 K 2026-04-29 16:52:28,265 INFO - step #255 R -765949.49 -801504.40 -204445.09 240000.00 T= 4412.40 K 2026-04-29 16:52:28,467 INFO - step #256 R -760543.20 -798415.06 -202128.14 240000.00 T= 4397.70 K 2026-04-29 16:52:30,828 INFO - step #257 R -764158.38 -801922.53 -202235.85 240000.00 T= 4338.88 K 2026-04-29 16:52:31,948 INFO - step #258 R -782668.20 -811275.26 -211392.94 240000.00 T= 4235.94 K 2026-04-29 16:52:33,066 INFO - step #259 R -785719.35 -813114.46 -212604.88 240000.00 T= 4133.01 K 2026-04-29 16:52:34,327 INFO - step #260 T -778151.00 -854865.31 -243285.69 320000.00 T= 4015.37 K 2026-04-29 16:52:35,504 INFO - step #261 R -778649.91 -858309.74 -240340.17 320000.00 T= 3897.73 K 2026-04-29 16:52:36,476 INFO - step #262 T -770385.03 -853485.74 -236899.30 320000.00 T= 3794.79 K 2026-04-29 16:52:37,075 INFO - step #263 R -727271.98 -847428.95 -239843.03 360000.00 T= 3735.97 K 2026-04-29 16:52:37,867 INFO - step #264 T -899392.70 -844509.40 -214883.30 160000.00 T= 3662.45 K 2026-04-29 16:52:38,504 INFO - step #265 T -904870.54 -851726.77 -213143.77 160000.00 T= 3603.63 K 2026-04-29 16:52:38,844 INFO - step #266 R -883567.63 -832094.63 -211473.00 160000.00 T= 3574.22 K 2026-04-29 16:52:39,829 INFO - step #267 R -886061.92 -834939.57 -211122.35 160000.00 T= 3471.28 K 2026-04-29 16:52:40,923 INFO - step #268 R -862030.09 -814278.69 -207751.40 160000.00 T= 3353.64 K 2026-04-29 16:52:41,377 INFO - step #269 R -717023.85 -832916.68 -204107.16 320000.00 T= 3309.53 K 2026-04-29 16:52:41,580 INFO - step #270 T -787199.94 -840830.14 -226369.80 280000.00 T= 3294.82 K 2026-04-29 16:52:42,291 INFO - step #271 T -813285.48 -887985.40 -245300.09 320000.00 T= 3221.30 K 2026-04-29 16:52:44,896 INFO - step #272 R -804836.03 -881476.66 -243359.37 320000.00 T= 2941.90 K 2026-04-29 16:52:45,776 INFO - step #273 T -808930.70 -916332.38 -252598.32 360000.00 T= 2853.67 K 2026-04-29 16:52:46,751 INFO - step #274 T -926352.21 -860737.61 -225614.60 160000.00 T= 2750.74 K 2026-04-29 16:52:47,210 INFO - step #275 R -923608.55 -860032.97 -223575.58 160000.00 T= 2706.62 K 2026-04-29 16:52:48,217 INFO - step #276 R -909184.50 -875587.54 -233596.96 200000.00 T= 2603.69 K 2026-04-29 16:52:48,970 INFO - step #277 R -911034.11 -885951.40 -225082.70 200000.00 T= 2530.16 K 2026-04-29 16:52:49,424 INFO - step #278 R -909597.68 -880894.52 -228703.16 200000.00 T= 2486.05 K 2026-04-29 16:52:49,618 INFO - step #279 R -935739.38 -871825.23 -223914.15 160000.00 T= 2471.34 K 2026-04-29 16:52:50,478 INFO - step #280 R -948405.60 -876671.38 -231734.22 160000.00 T= 2383.11 K 2026-04-29 16:52:51,059 INFO - step #281 R -955825.36 -887680.19 -228145.17 160000.00 T= 2324.29 K 2026-04-29 16:52:51,396 INFO - step #282 R -957965.09 -889381.70 -228583.38 160000.00 T= 2294.88 K 2026-04-29 16:52:51,850 INFO - step #283 R -977751.50 -906443.43 -231308.08 160000.00 T= 2250.77 K 2026-04-29 16:52:52,044 INFO - step #284 R -950347.25 -873658.59 -236688.66 160000.00 T= 2236.06 K 2026-04-29 16:52:54,747 INFO - step #285 R -960004.96 -890111.93 -229893.03 160000.00 T= 1941.96 K 2026-04-29 16:52:55,478 INFO - step #286 R -959949.01 -890055.98 -229893.03 160000.00 T= 1868.44 K 2026-04-29 16:52:56,062 INFO - step #287 R -967235.09 -894069.26 -233165.83 160000.00 T= 1809.62 K 2026-04-29 16:52:56,385 INFO - step #288 R -969034.57 -898425.73 -230608.84 160000.00 T= 1780.21 K 2026-04-29 16:52:58,220 INFO - step #289 R -963497.57 -893528.44 -229969.13 160000.00 T= 1574.34 K 2026-04-29 16:52:58,936 INFO - step #290 R -961095.25 -892950.08 -228145.17 160000.00 T= 1500.81 K 2026-04-29 16:52:59,509 INFO - step #291 R -958109.62 -889412.83 -228696.79 160000.00 T= 1441.99 K 2026-04-29 16:52:59,713 INFO - step #292 R -957460.13 -882233.51 -235226.62 160000.00 T= 1427.29 K 2026-04-29 16:53:01,069 INFO - step #293 R -950995.06 -878811.01 -232184.05 160000.00 T= 1280.24 K 2026-04-29 16:53:05,142 INFO - step #294 R -953371.43 -881187.39 -232184.05 160000.00 T= 839.09 K 2026-04-29 16:53:05,332 INFO - step #295 R -953754.78 -881354.64 -232400.14 160000.00 T= 824.38 K 2026-04-29 16:53:06,281 INFO - step #296 R -953521.88 -876799.14 -236722.74 160000.00 T= 721.45 K 2026-04-29 16:53:06,610 INFO - step #297 R -972087.94 -902213.92 -229874.02 160000.00 T= 692.04 K 2026-04-29 16:53:07,438 INFO - step #298 R -957635.58 -886215.80 -231419.78 160000.00 T= 603.81 K 2026-04-29 16:53:07,768 INFO - step #299 R -972548.08 -902674.05 -229874.02 160000.00 T= 574.40 K 2026-04-29 16:53:09,042 INFO - step #300 R -962079.17 -890574.89 -231504.28 160000.00 T= 442.05 K 2026-04-29 16:53:13,856 INFO - save long traj 2026-04-29 16:53:13,939 INFO - save best.pdb