2026-05-20 19:19:29,427 INFO - start - parameters: File name /home/rpdock/web/media/jobs/41381c2a-3d81-4eac-863b-b9bf50f42b67//ref_struc/na-prot_1927/na-prot_1927.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-05-20 19:19:30,275 INFO - step #1 R -316197.23 -1113654.74 -282542.48 1080000.00 T= 15000.00 K 2026-05-20 19:19:30,432 INFO - step #2 T -426902.46 -1080671.57 -266230.89 920000.00 T= 14985.30 K 2026-05-20 19:19:30,595 INFO - step #3 R -383166.51 -1076405.29 -266761.22 960000.00 T= 14970.59 K 2026-05-20 19:19:30,868 INFO - step #4 T -209483.19 -1174742.38 -274740.81 1240000.00 T= 14941.18 K 2026-05-20 19:19:31,031 INFO - step #5 R -128654.84 -1144567.51 -264087.33 1280000.00 T= 14926.48 K 2026-05-20 19:19:31,191 INFO - step #6 T -601133.78 -1121707.92 -279425.86 800000.00 T= 14911.77 K 2026-05-20 19:19:31,567 INFO - step #7 R -531087.84 -1086317.24 -244770.59 800000.00 T= 14867.66 K 2026-05-20 19:19:32,012 INFO - step #8 T -384290.10 -1054294.50 -249995.60 920000.00 T= 14823.54 K 2026-05-20 19:19:32,169 INFO - step #9 T -459269.06 -1161708.52 -257560.53 960000.00 T= 14808.84 K 2026-05-20 19:19:32,372 INFO - step #10 T -568986.27 -1116738.41 -292247.86 840000.00 T= 14794.13 K 2026-05-20 19:19:32,537 INFO - step #11 R -539058.76 -1096662.56 -282396.20 840000.00 T= 14779.43 K 2026-05-20 19:19:32,707 INFO - step #12 R -693626.52 -1095539.92 -278086.60 680000.00 T= 14764.72 K 2026-05-20 19:19:33,394 INFO - step #13 T -825894.73 -998366.40 -227528.33 400000.00 T= 14676.49 K 2026-05-20 19:19:33,748 INFO - step #14 T -913376.32 -962302.33 -231073.99 280000.00 T= 14632.38 K 2026-05-20 19:19:33,995 INFO - step #15 T -890844.13 -941000.13 -229844.00 280000.00 T= 14617.67 K 2026-05-20 19:19:34,146 INFO - step #16 T -821448.54 -925409.51 -216039.04 320000.00 T= 14602.97 K 2026-05-20 19:19:34,440 INFO - step #17 T -887208.11 -950862.09 -216346.02 280000.00 T= 14573.56 K 2026-05-20 19:19:34,896 INFO - step #18 R -887208.11 -950862.09 -216346.02 280000.00 T= 14514.74 K 2026-05-20 19:19:35,144 INFO - step #19 T -839124.07 -870621.08 -208503.00 240000.00 T= 14485.33 K 2026-05-20 19:19:35,294 INFO - step #20 T -848571.32 -877417.37 -211153.95 240000.00 T= 14470.62 K 2026-05-20 19:19:35,442 INFO - step #21 R -821256.21 -861091.07 -200165.14 240000.00 T= 14455.92 K 2026-05-20 19:19:35,597 INFO - step #22 T -786620.94 -922516.32 -224104.62 360000.00 T= 14441.21 K 2026-05-20 19:19:36,400 INFO - step #23 R -737606.64 -915617.84 -221988.80 400000.00 T= 14352.98 K 2026-05-20 19:19:36,558 INFO - step #24 T -711327.13 -979797.19 -251529.95 520000.00 T= 14338.28 K 2026-05-20 19:19:36,721 INFO - step #25 T -862195.64 -1023216.53 -238979.12 400000.00 T= 14323.57 K 2026-05-20 19:19:37,001 INFO - step #26 R -783043.66 -987907.64 -235136.02 440000.00 T= 14294.16 K 2026-05-20 19:19:37,284 INFO - step #27 R -695697.49 -1016257.26 -239440.23 560000.00 T= 14264.75 K 2026-05-20 19:19:37,437 INFO - step #28 T -642030.65 -887908.57 -194122.08 440000.00 T= 14250.05 K 2026-05-20 19:19:37,703 INFO - step #29 T -646920.13 -1020417.43 -226502.70 600000.00 T= 14220.64 K 2026-05-20 19:19:37,856 INFO - step #30 R -653457.26 -1024422.08 -229035.18 600000.00 T= 14205.93 K 2026-05-20 19:19:38,185 INFO - step #31 R -673466.65 -1003439.25 -230027.40 560000.00 T= 14191.23 K 2026-05-20 19:19:38,546 INFO - step #32 T -668204.58 -1058175.76 -250028.81 640000.00 T= 14147.11 K 2026-05-20 19:19:38,705 INFO - step #33 R -699509.09 -1081964.01 -257545.08 640000.00 T= 14132.41 K 2026-05-20 19:19:38,857 INFO - step #34 T -742319.79 -927946.77 -214373.02 400000.00 T= 14117.70 K 2026-05-20 19:19:39,015 INFO - step #35 R -745117.96 -955812.71 -229305.25 440000.00 T= 14103.00 K 2026-05-20 19:19:39,171 INFO - step #36 R -777466.65 -990151.55 -227315.10 440000.00 T= 14088.29 K 2026-05-20 19:19:40,132 INFO - step #37 R -823559.07 -965797.10 -217761.97 360000.00 T= 13955.95 K 2026-05-20 19:19:40,478 INFO - step #38 T -648428.78 -961656.39 -246772.38 560000.00 T= 13911.83 K 2026-05-20 19:19:40,843 INFO - step #39 T -639124.57 -1025204.77 -253919.80 640000.00 T= 13897.13 K 2026-05-20 19:19:41,519 INFO - step #40 R -551155.23 -1020871.93 -250283.30 720000.00 T= 13808.90 K 2026-05-20 19:19:41,681 INFO - step #41 T -709834.98 -966126.59 -223708.38 480000.00 T= 13794.19 K 2026-05-20 19:19:41,841 INFO - step #42 R -709374.16 -965030.64 -224343.52 480000.00 T= 13779.49 K 2026-05-20 19:19:41,996 INFO - step #43 R -722640.78 -977197.22 -225443.56 480000.00 T= 13764.78 K 2026-05-20 19:19:42,148 INFO - step #44 R -766939.20 -952161.96 -214777.24 400000.00 T= 13750.08 K 2026-05-20 19:19:42,597 INFO - step #45 R -519403.70 -920326.69 -199077.01 600000.00 T= 13691.26 K 2026-05-20 19:19:42,856 INFO - step #46 R -518587.99 -921085.55 -197502.44 600000.00 T= 13661.85 K 2026-05-20 19:19:43,012 INFO - step #47 R -527956.49 -927576.91 -200379.58 600000.00 T= 13647.14 K 2026-05-20 19:19:43,432 INFO - step #48 R -521360.85 -917221.44 -204139.41 600000.00 T= 13632.44 K 2026-05-20 19:19:43,589 INFO - step #49 R -612301.36 -997349.31 -254952.04 640000.00 T= 13617.73 K 2026-05-20 19:19:43,848 INFO - step #50 T -786074.24 -986801.21 -239273.03 440000.00 T= 13588.32 K 2026-05-20 19:19:44,210 INFO - step #51 R -780946.18 -976912.90 -244033.29 440000.00 T= 13544.21 K 2026-05-20 19:19:44,566 INFO - step #52 R -774135.84 -967479.18 -246656.65 440000.00 T= 13500.09 K 2026-05-20 19:19:44,832 INFO - step #53 R -726018.21 -962291.32 -243726.89 480000.00 T= 13470.68 K 2026-05-20 19:19:44,999 INFO - step #54 T -721120.12 -1060653.51 -260466.61 600000.00 T= 13455.98 K 2026-05-20 19:19:45,361 INFO - step #55 T -765140.72 -961928.45 -243212.27 440000.00 T= 13411.86 K 2026-05-20 19:19:45,534 INFO - step #56 T -631629.76 -1009465.50 -262164.26 640000.00 T= 13397.16 K 2026-05-20 19:19:45,693 INFO - step #57 R -759341.89 -1059071.01 -260270.88 560000.00 T= 13382.45 K 2026-05-20 19:19:46,683 INFO - step #58 R -710393.01 -1050351.48 -260041.52 600000.00 T= 13250.11 K 2026-05-20 19:19:46,942 INFO - step #59 R -722104.71 -1070123.90 -251980.81 600000.00 T= 13220.70 K 2026-05-20 19:19:47,760 INFO - step #60 R -673212.90 -1025588.42 -247624.48 600000.00 T= 13161.88 K 2026-05-20 19:19:48,222 INFO - step #61 R -534461.91 -972571.65 -241890.26 680000.00 T= 13103.06 K 2026-05-20 19:19:48,376 INFO - step #62 R -633507.95 -992637.48 -240870.47 600000.00 T= 13088.35 K 2026-05-20 19:19:48,558 INFO - step #63 T -681088.44 -1140295.33 -260793.11 720000.00 T= 13073.65 K 2026-05-20 19:19:48,717 INFO - step #64 T -727832.95 -1098924.06 -268908.89 640000.00 T= 13058.94 K 2026-05-20 19:19:48,873 INFO - step #65 R -755547.62 -1118561.41 -276986.21 640000.00 T= 13044.24 K 2026-05-20 19:19:49,029 INFO - step #66 T -524803.91 -1032788.35 -252015.55 760000.00 T= 13029.53 K 2026-05-20 19:19:49,187 INFO - step #67 T -379104.22 -1144435.39 -234668.83 1000000.00 T= 13014.83 K 2026-05-20 19:19:49,552 INFO - step #68 T -527208.35 -1112742.71 -254465.65 840000.00 T= 12970.71 K 2026-05-20 19:19:49,808 INFO - step #69 T -571779.70 -1039633.42 -252146.28 720000.00 T= 12941.30 K 2026-05-20 19:19:50,055 INFO - step #70 T -463195.68 -937409.67 -245786.01 720000.00 T= 12911.89 K 2026-05-20 19:19:50,229 INFO - step #71 R -598073.38 -987524.60 -250548.78 640000.00 T= 12897.19 K 2026-05-20 19:19:50,378 INFO - step #72 T -252833.14 -910240.33 -222592.81 880000.00 T= 12882.48 K 2026-05-20 19:19:50,531 INFO - step #73 R -308497.39 -893899.11 -214598.27 800000.00 T= 12867.78 K 2026-05-20 19:19:50,682 INFO - step #74 T -319881.46 -930929.04 -228952.42 840000.00 T= 12853.07 K 2026-05-20 19:19:51,244 INFO - step #75 T -516506.03 -782354.74 -214151.28 480000.00 T= 12838.37 K 2026-05-20 19:19:51,397 INFO - step #76 R -586743.32 -813938.54 -212804.78 440000.00 T= 12823.66 K 2026-05-20 19:19:51,660 INFO - step #77 R -353502.36 -887949.36 -225553.00 760000.00 T= 12794.25 K 2026-05-20 19:19:51,817 INFO - step #78 T -602597.89 -899641.23 -222956.65 520000.00 T= 12779.55 K 2026-05-20 19:19:51,975 INFO - step #79 R -602016.82 -900534.24 -221482.59 520000.00 T= 12764.84 K 2026-05-20 19:19:52,425 INFO - step #80 R -680882.92 -768847.17 -192035.75 280000.00 T= 12706.02 K 2026-05-20 19:19:52,579 INFO - step #81 R -625113.46 -773173.96 -211939.50 360000.00 T= 12691.32 K 2026-05-20 19:19:52,734 INFO - step #82 R -733570.75 -818097.96 -195472.79 280000.00 T= 12676.61 K 2026-05-20 19:19:53,178 INFO - step #83 R -726289.03 -812428.42 -193860.60 280000.00 T= 12617.79 K 2026-05-20 19:19:53,335 INFO - step #84 R -755731.35 -916143.05 -239588.30 400000.00 T= 12603.09 K 2026-05-20 19:19:53,697 INFO - step #85 R -480801.16 -895173.26 -225627.90 640000.00 T= 12558.97 K 2026-05-20 19:19:53,854 INFO - step #86 R -747215.45 -914028.24 -233187.21 400000.00 T= 12544.27 K 2026-05-20 19:19:54,108 INFO - step #87 R -528516.66 -902888.77 -225627.90 600000.00 T= 12514.86 K 2026-05-20 19:19:54,264 INFO - step #88 R -534065.40 -904753.90 -229311.50 600000.00 T= 12500.15 K 2026-05-20 19:19:54,521 INFO - step #89 R -567358.00 -874339.46 -213018.54 520000.00 T= 12470.74 K 2026-05-20 19:19:54,683 INFO - step #90 R -707516.98 -854211.39 -213305.59 360000.00 T= 12456.04 K 2026-05-20 19:19:54,837 INFO - step #91 T -560759.79 -853657.54 -187102.25 480000.00 T= 12441.33 K 2026-05-20 19:19:55,022 INFO - step #92 T -852705.26 -920985.16 -211720.10 280000.00 T= 12426.63 K 2026-05-20 19:19:56,316 INFO - step #93 R -849387.31 -889387.74 -199999.57 240000.00 T= 12323.69 K 2026-05-20 19:19:56,473 INFO - step #94 T -770615.95 -810883.47 -199732.48 240000.00 T= 12308.99 K 2026-05-20 19:19:56,629 INFO - step #95 R -801043.43 -844619.52 -196423.91 240000.00 T= 12294.28 K 2026-05-20 19:19:56,886 INFO - step #96 T -822112.79 -866885.08 -195227.71 240000.00 T= 12264.87 K 2026-05-20 19:19:57,044 INFO - step #97 T -856090.20 -854876.83 -201213.37 200000.00 T= 12250.17 K 2026-05-20 19:19:57,391 INFO - step #98 R -849780.86 -853202.04 -196578.82 200000.00 T= 12206.05 K 2026-05-20 19:19:57,667 INFO - step #99 R -873355.20 -860303.87 -213051.33 200000.00 T= 12176.64 K 2026-05-20 19:19:57,916 INFO - step #100 R -862069.83 -853762.71 -208307.12 200000.00 T= 12147.23 K 2026-05-20 19:19:58,064 INFO - step #101 T -483661.53 -777523.72 -186137.81 480000.00 T= 12132.53 K 2026-05-20 19:19:58,215 INFO - step #102 R -608512.77 -875748.50 -212764.27 480000.00 T= 12117.82 K 2026-05-20 19:19:58,366 INFO - step #103 R -623993.32 -851333.78 -212659.55 440000.00 T= 12103.12 K 2026-05-20 19:19:58,521 INFO - step #104 T -618925.72 -854041.78 -204883.95 440000.00 T= 12088.41 K 2026-05-20 19:19:58,700 INFO - step #105 T -666962.97 -859183.56 -207779.42 400000.00 T= 12073.71 K 2026-05-20 19:19:58,851 INFO - step #106 R -670926.33 -861635.18 -209291.15 400000.00 T= 12059.00 K 2026-05-20 19:19:59,003 INFO - step #107 T -654813.63 -819443.13 -195370.50 360000.00 T= 12044.30 K 2026-05-20 19:19:59,261 INFO - step #108 T -602271.79 -772010.96 -190260.83 360000.00 T= 12014.89 K 2026-05-20 19:19:59,423 INFO - step #109 T -594510.67 -801853.51 -192657.16 400000.00 T= 12000.18 K 2026-05-20 19:19:59,774 INFO - step #110 R -427386.95 -729034.34 -178352.61 480000.00 T= 11956.07 K 2026-05-20 19:19:59,922 INFO - step #111 T -529179.97 -777184.80 -191995.18 440000.00 T= 11941.36 K 2026-05-20 19:20:00,190 INFO - step #112 T -665316.29 -859579.66 -205736.62 400000.00 T= 11911.95 K 2026-05-20 19:20:00,339 INFO - step #113 R -534456.59 -860550.89 -193905.69 520000.00 T= 11897.25 K 2026-05-20 19:20:01,095 INFO - step #114 R -658040.12 -853868.48 -204171.64 400000.00 T= 11882.54 K 2026-05-20 19:20:01,250 INFO - step #115 R -636181.02 -798673.42 -197507.60 360000.00 T= 11867.84 K 2026-05-20 19:20:01,400 INFO - step #116 R -623478.05 -787324.71 -196153.34 360000.00 T= 11853.13 K 2026-05-20 19:20:01,559 INFO - step #117 R -651502.84 -888724.30 -202778.54 440000.00 T= 11838.43 K 2026-05-20 19:20:01,831 INFO - step #118 R -710160.81 -882786.83 -187373.99 360000.00 T= 11809.02 K 2026-05-20 19:20:02,100 INFO - step #119 T -917789.46 -905199.47 -212590.00 200000.00 T= 11779.61 K 2026-05-20 19:20:02,803 INFO - step #120 R -899484.40 -892414.11 -207070.29 200000.00 T= 11691.38 K 2026-05-20 19:20:02,954 INFO - step #121 R -902998.37 -892850.70 -210147.67 200000.00 T= 11676.67 K 2026-05-20 19:20:03,105 INFO - step #122 R -851470.72 -849663.41 -201807.31 200000.00 T= 11661.97 K 2026-05-20 19:20:03,547 INFO - step #123 R -652645.15 -909525.83 -223119.32 480000.00 T= 11603.15 K 2026-05-20 19:20:03,703 INFO - step #124 R -841729.52 -913134.20 -248595.32 320000.00 T= 11588.44 K 2026-05-20 19:20:04,054 INFO - step #125 T -755584.91 -956316.43 -279268.48 480000.00 T= 11544.33 K 2026-05-20 19:20:04,209 INFO - step #126 R -741841.50 -996562.67 -265278.83 520000.00 T= 11529.62 K 2026-05-20 19:20:04,567 INFO - step #127 T -681735.96 -1017755.83 -263980.13 600000.00 T= 11485.51 K 2026-05-20 19:20:04,726 INFO - step #128 R -673675.20 -1015621.92 -258053.28 600000.00 T= 11470.80 K 2026-05-20 19:20:04,884 INFO - step #129 R -676485.65 -1017242.34 -259243.31 600000.00 T= 11456.10 K 2026-05-20 19:20:05,916 INFO - step #130 T -767621.38 -988158.69 -259462.69 480000.00 T= 11323.75 K 2026-05-20 19:20:06,135 INFO - step #131 R -831664.04 -1000767.88 -270896.16 440000.00 T= 11309.05 K 2026-05-20 19:20:06,501 INFO - step #132 T -836336.30 -992130.74 -244205.56 400000.00 T= 11264.93 K 2026-05-20 19:20:06,655 INFO - step #133 T -631724.74 -941323.61 -250401.13 560000.00 T= 11250.23 K 2026-05-20 19:20:07,370 INFO - step #134 R -603513.74 -927365.72 -236148.02 560000.00 T= 11162.00 K 2026-05-20 19:20:07,523 INFO - step #135 R -602573.95 -926425.93 -236148.02 560000.00 T= 11147.29 K 2026-05-20 19:20:07,739 INFO - step #136 R -748947.35 -902908.08 -206039.26 360000.00 T= 11132.59 K 2026-05-20 19:20:07,900 INFO - step #137 T -827477.60 -927619.12 -219858.48 320000.00 T= 11117.88 K 2026-05-20 19:20:09,152 INFO - step #138 R -653378.64 -812218.36 -201160.28 360000.00 T= 11059.06 K 2026-05-20 19:20:09,646 INFO - step #139 T -702098.99 -877992.51 -224106.48 400000.00 T= 11000.24 K 2026-05-20 19:20:09,805 INFO - step #140 R -715874.89 -886293.94 -229580.95 400000.00 T= 10985.54 K 2026-05-20 19:20:10,166 INFO - step #141 R -712197.62 -887376.28 -224821.34 400000.00 T= 10941.42 K 2026-05-20 19:20:10,324 INFO - step #142 T -745068.76 -846046.36 -219022.40 320000.00 T= 10926.72 K 2026-05-20 19:20:10,501 INFO - step #143 T -614281.23 -797561.44 -176719.79 360000.00 T= 10912.01 K 2026-05-20 19:20:10,652 INFO - step #144 R -700880.32 -778753.97 -202126.35 280000.00 T= 10897.31 K 2026-05-20 19:20:10,808 INFO - step #145 T -745156.48 -864895.83 -200260.66 320000.00 T= 10882.60 K 2026-05-20 19:20:10,971 INFO - step #146 R -770359.18 -883746.52 -206612.66 320000.00 T= 10867.90 K 2026-05-20 19:20:11,122 INFO - step #147 R -758819.11 -872189.98 -206629.13 320000.00 T= 10853.19 K 2026-05-20 19:20:11,383 INFO - step #148 R -566715.95 -783032.41 -183683.54 400000.00 T= 10823.78 K 2026-05-20 19:20:11,733 INFO - step #149 T -367417.16 -791117.15 -176300.01 600000.00 T= 10779.67 K 2026-05-20 19:20:11,885 INFO - step #150 R -542447.72 -807020.03 -175427.70 440000.00 T= 10764.96 K 2026-05-20 19:20:12,532 INFO - step #151 T -469111.85 -779228.96 -169882.90 480000.00 T= 10676.73 K 2026-05-20 19:20:12,687 INFO - step #152 R -539910.46 -831839.40 -188071.06 480000.00 T= 10662.03 K 2026-05-20 19:20:12,845 INFO - step #153 T -511498.77 -835071.78 -196426.99 520000.00 T= 10647.32 K 2026-05-20 19:20:13,002 INFO - step #154 R -660331.07 -890733.69 -209597.37 440000.00 T= 10632.62 K 2026-05-20 19:20:13,157 INFO - step #155 T -646858.26 -949864.55 -216993.71 520000.00 T= 10617.91 K 2026-05-20 19:20:13,637 INFO - step #156 T -514021.25 -869062.62 -204958.63 560000.00 T= 10559.09 K 2026-05-20 19:20:13,801 INFO - step #157 R -509994.06 -829920.04 -200074.03 520000.00 T= 10544.39 K 2026-05-20 19:20:13,954 INFO - step #158 R -527112.18 -842305.85 -204806.33 520000.00 T= 10529.68 K 2026-05-20 19:20:14,135 INFO - step #159 R -531137.57 -815406.89 -195730.68 480000.00 T= 10514.98 K 2026-05-20 19:20:14,290 INFO - step #160 R -617810.36 -854981.31 -202829.04 440000.00 T= 10500.27 K 2026-05-20 19:20:14,842 INFO - step #161 T -597423.60 -836578.58 -200845.02 440000.00 T= 10426.75 K 2026-05-20 19:20:15,287 INFO - step #162 R -692796.60 -854388.95 -198407.65 360000.00 T= 10367.93 K 2026-05-20 19:20:15,436 INFO - step #163 R -730642.52 -849115.27 -201527.25 320000.00 T= 10353.22 K 2026-05-20 19:20:15,688 INFO - step #164 R -695145.13 -856737.48 -198407.65 360000.00 T= 10323.81 K 2026-05-20 19:20:15,839 INFO - step #165 T -767278.18 -880652.47 -206625.72 320000.00 T= 10309.11 K 2026-05-20 19:20:15,989 INFO - step #166 T -877498.73 -933113.34 -224385.40 280000.00 T= 10294.40 K 2026-05-20 19:20:16,235 INFO - step #167 R -917481.78 -929177.12 -228304.66 240000.00 T= 10264.99 K 2026-05-20 19:20:16,385 INFO - step #168 T -914165.27 -906867.65 -207297.62 200000.00 T= 10250.29 K 2026-05-20 19:20:17,983 INFO - step #169 R -932622.20 -915291.89 -217330.32 200000.00 T= 10162.06 K 2026-05-20 19:20:18,477 INFO - step #170 T -879721.90 -872670.88 -207051.02 200000.00 T= 10103.24 K 2026-05-20 19:20:19,073 INFO - step #171 R -668308.04 -802629.16 -185678.88 320000.00 T= 10029.71 K 2026-05-20 19:20:19,230 INFO - step #172 R -679786.47 -810948.04 -188838.44 320000.00 T= 10015.01 K 2026-05-20 19:20:19,381 INFO - step #173 T -560364.59 -768416.51 -191948.08 400000.00 T= 10000.30 K 2026-05-20 19:20:19,535 INFO - step #174 R -690419.24 -820455.40 -189963.84 320000.00 T= 9985.60 K 2026-05-20 19:20:19,780 INFO - step #175 R -598085.24 -735626.07 -182459.17 320000.00 T= 9956.19 K 2026-05-20 19:20:19,927 INFO - step #176 T -603153.42 -729138.43 -154014.99 280000.00 T= 9941.48 K 2026-05-20 19:20:20,079 INFO - step #177 R -574988.42 -726227.71 -168760.71 320000.00 T= 9926.78 K 2026-05-20 19:20:20,243 INFO - step #178 R -578001.13 -733075.45 -164925.67 320000.00 T= 9912.07 K 2026-05-20 19:20:20,395 INFO - step #179 T -792571.44 -756604.86 -155966.58 120000.00 T= 9897.37 K 2026-05-20 19:20:20,770 INFO - step #180 R -804070.20 -763390.88 -160679.32 120000.00 T= 9853.25 K 2026-05-20 19:20:21,012 INFO - step #181 R -805130.39 -764999.04 -160131.35 120000.00 T= 9823.84 K 2026-05-20 19:20:21,163 INFO - step #182 R -823040.81 -769084.91 -173955.90 120000.00 T= 9809.14 K 2026-05-20 19:20:21,315 INFO - step #183 T -808620.43 -773284.80 -195335.63 160000.00 T= 9794.43 K 2026-05-20 19:20:21,491 INFO - step #184 T -937342.92 -830294.84 -227048.08 120000.00 T= 9779.73 K 2026-05-20 19:20:21,940 INFO - step #185 R -926974.14 -825913.35 -221060.79 120000.00 T= 9720.91 K 2026-05-20 19:20:22,093 INFO - step #186 R -932645.55 -821588.72 -231056.83 120000.00 T= 9706.20 K 2026-05-20 19:20:22,442 INFO - step #187 R -909765.23 -800786.24 -228978.99 120000.00 T= 9662.09 K 2026-05-20 19:20:22,592 INFO - step #188 R -813772.74 -753776.26 -219996.48 160000.00 T= 9647.38 K 2026-05-20 19:20:22,840 INFO - step #189 T -756444.03 -699591.06 -216852.97 160000.00 T= 9617.97 K 2026-05-20 19:20:22,986 INFO - step #190 R -672159.35 -654399.78 -177759.58 160000.00 T= 9603.27 K 2026-05-20 19:20:23,241 INFO - step #191 T -732642.61 -705035.01 -187607.60 160000.00 T= 9573.86 K 2026-05-20 19:20:23,483 INFO - step #192 T -709478.54 -684375.05 -185103.49 160000.00 T= 9544.45 K 2026-05-20 19:20:23,639 INFO - step #193 R -699289.78 -679037.64 -180252.14 160000.00 T= 9529.74 K 2026-05-20 19:20:23,898 INFO - step #194 T -666138.27 -679760.24 -186378.03 200000.00 T= 9500.33 K 2026-05-20 19:20:24,451 INFO - step #195 T -658085.29 -633713.15 -184372.15 160000.00 T= 9426.81 K 2026-05-20 19:20:24,698 INFO - step #196 R -655513.42 -650240.34 -205273.08 200000.00 T= 9397.40 K 2026-05-20 19:20:24,850 INFO - step #197 R -706993.89 -703796.23 -203197.65 200000.00 T= 9382.69 K 2026-05-20 19:20:25,000 INFO - step #198 R -704702.70 -676036.69 -188666.01 160000.00 T= 9367.99 K 2026-05-20 19:20:25,144 INFO - step #199 T -543802.31 -663389.35 -160412.96 280000.00 T= 9353.28 K 2026-05-20 19:20:25,291 INFO - step #200 T -636152.27 -616777.20 -179375.07 160000.00 T= 9338.58 K 2026-05-20 19:20:27,543 INFO - step #201 T -614888.13 -606058.38 -168829.75 160000.00 T= 9323.87 K 2026-05-20 19:20:27,695 INFO - step #202 R -650698.78 -634300.19 -176398.59 160000.00 T= 9309.17 K 2026-05-20 19:20:27,843 INFO - step #203 T -509791.27 -544059.50 -165731.77 200000.00 T= 9294.46 K 2026-05-20 19:20:27,992 INFO - step #204 R -512931.88 -547200.11 -165731.77 200000.00 T= 9279.76 K 2026-05-20 19:20:28,144 INFO - step #205 R -661454.40 -600664.57 -180789.83 120000.00 T= 9265.05 K 2026-05-20 19:20:28,401 INFO - step #206 T -555093.35 -659420.95 -175672.40 280000.00 T= 9235.64 K 2026-05-20 19:20:29,757 INFO - step #207 T -568621.22 -547165.06 -141456.16 120000.00 T= 9220.94 K 2026-05-20 19:20:29,920 INFO - step #208 T -515710.71 -472686.01 -123024.70 80000.00 T= 9206.23 K 2026-05-20 19:20:30,091 INFO - step #209 R -518055.48 -511633.91 -126421.57 120000.00 T= 9191.53 K 2026-05-20 19:20:30,245 INFO - step #210 T -429241.18 -555768.33 -153472.85 280000.00 T= 9176.82 K 2026-05-20 19:20:30,392 INFO - step #211 T -558988.91 -514309.76 -124679.16 80000.00 T= 9162.12 K 2026-05-20 19:20:30,541 INFO - step #212 R -537103.08 -498973.23 -118129.85 80000.00 T= 9147.41 K 2026-05-20 19:20:30,691 INFO - step #213 R -538740.00 -500536.29 -118203.71 80000.00 T= 9132.71 K 2026-05-20 19:20:30,846 INFO - step #214 T -499107.51 -546308.24 -152799.26 200000.00 T= 9118.00 K 2026-05-20 19:20:31,093 INFO - step #215 R -476855.27 -531235.54 -145619.73 200000.00 T= 9088.59 K 2026-05-20 19:20:31,245 INFO - step #216 T -480187.49 -534294.94 -145892.55 200000.00 T= 9073.89 K 2026-05-20 19:20:31,393 INFO - step #217 T -472511.07 -491297.38 -141213.68 160000.00 T= 9059.18 K 2026-05-20 19:20:31,742 INFO - step #218 R -449584.89 -471599.92 -137984.97 160000.00 T= 9015.07 K 2026-05-20 19:20:31,898 INFO - step #219 T -496579.12 -542993.83 -153585.29 200000.00 T= 9000.36 K 2026-05-20 19:20:32,150 INFO - step #220 R -455949.65 -535729.43 -160220.22 240000.00 T= 8970.95 K 2026-05-20 19:20:32,301 INFO - step #221 T -393810.68 -518643.76 -155166.92 280000.00 T= 8956.25 K 2026-05-20 19:20:32,457 INFO - step #222 T -507768.61 -515308.95 -152459.66 160000.00 T= 8941.54 K 2026-05-20 19:20:32,896 INFO - step #223 R -518855.04 -522435.15 -156419.88 160000.00 T= 8882.72 K 2026-05-20 19:20:33,578 INFO - step #224 T -523299.37 -504885.72 -138413.65 120000.00 T= 8779.79 K 2026-05-20 19:20:33,723 INFO - step #225 T -522602.33 -498928.19 -143674.14 120000.00 T= 8765.08 K 2026-05-20 19:20:34,042 INFO - step #226 R -514801.88 -487706.83 -147095.04 120000.00 T= 8720.97 K 2026-05-20 19:20:34,185 INFO - step #227 R -516950.15 -491076.01 -145874.13 120000.00 T= 8706.26 K 2026-05-20 19:20:34,962 INFO - step #228 T -475532.13 -586143.90 -169388.22 280000.00 T= 8588.62 K 2026-05-20 19:20:35,111 INFO - step #229 R -490883.45 -599048.84 -171834.62 280000.00 T= 8573.92 K 2026-05-20 19:20:35,257 INFO - step #230 T -620243.95 -571755.20 -168488.75 120000.00 T= 8559.21 K 2026-05-20 19:20:35,496 INFO - step #231 T -605846.68 -540022.15 -145824.54 80000.00 T= 8529.80 K 2026-05-20 19:20:35,644 INFO - step #232 T -643006.80 -577527.61 -145479.19 80000.00 T= 8515.10 K 2026-05-20 19:20:35,882 INFO - step #233 T -606065.44 -566278.70 -159786.74 120000.00 T= 8485.69 K 2026-05-20 19:20:36,028 INFO - step #234 T -622561.29 -560690.28 -141871.01 80000.00 T= 8470.98 K 2026-05-20 19:20:36,190 INFO - step #235 T -688558.79 -601809.13 -166749.66 80000.00 T= 8456.28 K 2026-05-20 19:20:36,340 INFO - step #236 R -662987.81 -589645.90 -153341.92 80000.00 T= 8441.57 K 2026-05-20 19:20:36,489 INFO - step #237 R -686097.69 -606270.39 -159827.31 80000.00 T= 8426.87 K 2026-05-20 19:20:36,730 INFO - step #238 R -649064.46 -579190.45 -149874.01 80000.00 T= 8397.46 K 2026-05-20 19:20:36,886 INFO - step #239 T -577878.45 -547017.69 -150860.75 120000.00 T= 8382.75 K 2026-05-20 19:20:37,035 INFO - step #240 R -596046.81 -559475.41 -156571.40 120000.00 T= 8368.05 K 2026-05-20 19:20:37,275 INFO - step #241 R -491059.02 -541012.35 -150046.66 200000.00 T= 8338.64 K 2026-05-20 19:20:37,419 INFO - step #242 T -592678.03 -533535.68 -139142.35 80000.00 T= 8323.93 K 2026-05-20 19:20:37,564 INFO - step #243 T -548661.24 -493107.60 -135553.64 80000.00 T= 8309.23 K 2026-05-20 19:20:37,726 INFO - step #244 R -564294.41 -505337.37 -138957.05 80000.00 T= 8294.52 K 2026-05-20 19:20:37,955 INFO - step #245 R -585974.97 -530112.72 -135862.25 80000.00 T= 8265.11 K 2026-05-20 19:20:38,188 INFO - step #246 R -585974.97 -530112.72 -135862.25 80000.00 T= 8235.70 K 2026-05-20 19:20:38,329 INFO - step #247 R -516754.26 -565435.67 -151318.59 200000.00 T= 8221.00 K 2026-05-20 19:20:38,580 INFO - step #248 T -544973.38 -519458.88 -145514.50 120000.00 T= 8191.59 K 2026-05-20 19:20:38,812 INFO - step #249 R -580528.98 -546474.53 -154054.45 120000.00 T= 8162.18 K 2026-05-20 19:20:39,134 INFO - step #250 T -592902.14 -640107.99 -192794.15 240000.00 T= 8118.06 K 2026-05-20 19:20:39,571 INFO - step #251 R -627918.97 -665178.94 -202740.03 240000.00 T= 8059.24 K 2026-05-20 19:20:39,719 INFO - step #252 R -629315.85 -666575.82 -202740.03 240000.00 T= 8044.54 K 2026-05-20 19:20:41,241 INFO - step #253 R -594815.92 -641880.45 -192935.47 240000.00 T= 8029.83 K 2026-05-20 19:20:41,504 INFO - step #254 T -614097.47 -681278.46 -212819.01 280000.00 T= 8000.42 K 2026-05-20 19:20:41,673 INFO - step #255 R -654261.74 -720164.61 -214097.13 280000.00 T= 7985.72 K 2026-05-20 19:20:41,830 INFO - step #256 R -668683.24 -701506.25 -207177.00 240000.00 T= 7971.01 K 2026-05-20 19:20:41,985 INFO - step #257 T -784849.61 -740978.17 -203871.44 160000.00 T= 7956.31 K 2026-05-20 19:20:42,333 INFO - step #258 R -792164.12 -751861.69 -200302.43 160000.00 T= 7912.19 K 2026-05-20 19:20:42,584 INFO - step #259 R -762535.37 -726225.85 -196309.53 160000.00 T= 7882.78 K 2026-05-20 19:20:43,025 INFO - step #260 T -767466.95 -778344.11 -229122.84 240000.00 T= 7823.96 K 2026-05-20 19:20:43,177 INFO - step #261 T -817505.80 -756644.30 -220861.50 160000.00 T= 7809.26 K 2026-05-20 19:20:43,332 INFO - step #262 R -822790.75 -802034.79 -220755.97 200000.00 T= 7794.55 K 2026-05-20 19:20:43,773 INFO - step #263 T -789032.69 -772832.84 -216199.85 200000.00 T= 7735.73 K 2026-05-20 19:20:43,935 INFO - step #264 R -728099.40 -756933.29 -211166.11 240000.00 T= 7721.03 K 2026-05-20 19:20:44,096 INFO - step #265 R -870639.41 -796228.28 -194411.13 120000.00 T= 7706.32 K 2026-05-20 19:20:44,734 INFO - step #266 R -803267.94 -768710.82 -194557.12 160000.00 T= 7618.09 K 2026-05-20 19:20:45,082 INFO - step #267 R -763135.35 -771023.77 -192111.58 200000.00 T= 7573.98 K 2026-05-20 19:20:45,239 INFO - step #268 R -702131.04 -738255.99 -203875.05 240000.00 T= 7559.27 K 2026-05-20 19:20:45,390 INFO - step #269 R -869393.80 -784578.30 -204815.51 120000.00 T= 7544.57 K 2026-05-20 19:20:45,656 INFO - step #270 T -808319.69 -728462.40 -199857.29 120000.00 T= 7515.16 K 2026-05-20 19:20:45,904 INFO - step #271 T -825271.33 -790602.63 -194668.70 160000.00 T= 7485.75 K 2026-05-20 19:20:46,721 INFO - step #272 R -817163.55 -783956.08 -193207.47 160000.00 T= 7368.11 K 2026-05-20 19:20:47,065 INFO - step #273 R -833329.67 -824544.80 -208784.87 200000.00 T= 7323.99 K 2026-05-20 19:20:47,311 INFO - step #274 R -822950.51 -789743.04 -193207.47 160000.00 T= 7294.58 K 2026-05-20 19:20:47,473 INFO - step #275 R -845789.00 -828499.68 -217289.32 200000.00 T= 7279.88 K 2026-05-20 19:20:47,723 INFO - step #276 R -791380.54 -813470.74 -217909.79 240000.00 T= 7250.47 K 2026-05-20 19:20:48,067 INFO - step #277 T -731134.89 -828795.65 -222339.24 320000.00 T= 7206.35 K 2026-05-20 19:20:48,218 INFO - step #278 R -737641.19 -825874.76 -231766.43 320000.00 T= 7191.65 K 2026-05-20 19:20:48,372 INFO - step #279 T -871208.10 -808350.42 -222857.67 160000.00 T= 7176.94 K 2026-05-20 19:20:48,548 INFO - step #280 T -818786.48 -745121.22 -193665.26 120000.00 T= 7162.24 K 2026-05-20 19:20:49,002 INFO - step #281 R -714693.22 -757104.59 -197588.63 240000.00 T= 7103.42 K 2026-05-20 19:20:49,151 INFO - step #282 R -758610.92 -766905.64 -191705.28 200000.00 T= 7088.71 K 2026-05-20 19:20:49,602 INFO - step #283 R -767875.98 -736177.23 -191698.75 160000.00 T= 7029.89 K 2026-05-20 19:20:50,331 INFO - step #284 R -743075.05 -719669.84 -183405.21 160000.00 T= 6926.96 K 2026-05-20 19:20:50,768 INFO - step #285 R -707360.63 -736148.89 -211211.74 240000.00 T= 6868.14 K 2026-05-20 19:20:51,112 INFO - step #286 R -693304.61 -723570.22 -209734.38 240000.00 T= 6824.02 K 2026-05-20 19:20:51,262 INFO - step #287 R -658977.36 -700008.48 -198968.88 240000.00 T= 6809.32 K 2026-05-20 19:20:51,414 INFO - step #288 R -714668.14 -741847.09 -212821.05 240000.00 T= 6794.61 K 2026-05-20 19:20:52,032 INFO - step #289 R -724235.25 -755778.41 -208456.84 240000.00 T= 6706.38 K 2026-05-20 19:20:52,381 INFO - step #290 R -704040.21 -730308.36 -213731.84 240000.00 T= 6662.27 K 2026-05-20 19:20:52,538 INFO - step #291 R -682035.96 -715185.70 -206850.26 240000.00 T= 6647.56 K 2026-05-20 19:20:52,687 INFO - step #292 R -689449.50 -730539.82 -198909.67 240000.00 T= 6632.86 K 2026-05-20 19:20:52,838 INFO - step #293 R -685011.75 -717391.75 -207620.00 240000.00 T= 6618.15 K 2026-05-20 19:20:53,082 INFO - step #294 T -626890.29 -717101.91 -189788.38 280000.00 T= 6588.74 K 2026-05-20 19:20:53,229 INFO - step #295 R -726959.63 -753314.54 -213645.09 240000.00 T= 6574.04 K 2026-05-20 19:20:53,375 INFO - step #296 R -731062.42 -732849.93 -198212.49 200000.00 T= 6559.33 K 2026-05-20 19:20:53,653 INFO - step #297 R -676885.75 -681388.94 -195496.81 200000.00 T= 6529.92 K 2026-05-20 19:20:54,114 INFO - step #298 T -787709.85 -828584.65 -239125.20 280000.00 T= 6471.10 K 2026-05-20 19:20:54,372 INFO - step #299 R -874091.97 -885647.90 -228444.08 240000.00 T= 6441.69 K 2026-05-20 19:20:54,840 INFO - step #300 R -877338.36 -882127.42 -235210.94 240000.00 T= 6382.87 K 2026-05-20 19:20:55,517 INFO - step #301 T -749492.80 -781207.29 -208285.50 240000.00 T= 6294.64 K 2026-05-20 19:20:55,677 INFO - step #302 T -771142.24 -759916.98 -211225.26 200000.00 T= 6279.94 K 2026-05-20 19:20:55,927 INFO - step #303 T -757266.03 -814565.07 -222700.96 280000.00 T= 6250.53 K 2026-05-20 19:20:56,205 INFO - step #304 R -785694.33 -804816.65 -220877.69 240000.00 T= 6221.12 K 2026-05-20 19:20:57,082 INFO - step #305 T -728445.06 -798554.74 -209890.32 280000.00 T= 6103.48 K 2026-05-20 19:20:57,512 INFO - step #306 R -742803.50 -808824.60 -213978.90 280000.00 T= 6044.66 K 2026-05-20 19:20:57,755 INFO - step #307 R -799023.87 -798376.89 -200646.98 200000.00 T= 6015.25 K 2026-05-20 19:20:59,605 INFO - step #308 R -802161.74 -801474.50 -200687.24 200000.00 T= 6000.54 K 2026-05-20 19:20:59,885 INFO - step #309 T -872699.23 -813789.74 -218909.49 160000.00 T= 5971.13 K 2026-05-20 19:21:01,253 INFO - step #310 R -874637.72 -815783.50 -218854.22 160000.00 T= 5794.67 K 2026-05-20 19:21:02,349 INFO - step #311 R -844436.37 -784170.15 -220266.21 160000.00 T= 5647.62 K 2026-05-20 19:21:02,518 INFO - step #312 R -846673.26 -788414.54 -218258.71 160000.00 T= 5632.92 K 2026-05-20 19:21:03,004 INFO - step #313 R -868063.10 -811074.64 -216988.46 160000.00 T= 5574.10 K 2026-05-20 19:21:03,172 INFO - step #314 R -811042.72 -761186.64 -209856.08 160000.00 T= 5559.39 K 2026-05-20 19:21:03,335 INFO - step #315 T -804002.37 -716417.25 -207585.13 120000.00 T= 5544.69 K 2026-05-20 19:21:03,594 INFO - step #316 R -825313.66 -733974.25 -211339.42 120000.00 T= 5515.28 K 2026-05-20 19:21:03,748 INFO - step #317 R -824399.66 -741284.68 -203114.98 120000.00 T= 5500.57 K 2026-05-20 19:21:04,097 INFO - step #318 R -822104.58 -736993.90 -205110.68 120000.00 T= 5456.46 K 2026-05-20 19:21:04,247 INFO - step #319 R -829844.67 -744791.61 -205053.06 120000.00 T= 5441.75 K 2026-05-20 19:21:04,395 INFO - step #320 T -792526.09 -755568.29 -196957.81 160000.00 T= 5427.05 K 2026-05-20 19:21:04,550 INFO - step #321 T -796751.63 -756629.04 -200122.60 160000.00 T= 5412.34 K 2026-05-20 19:21:05,085 INFO - step #322 R -798928.11 -714482.64 -204445.48 120000.00 T= 5338.82 K 2026-05-20 19:21:06,208 INFO - step #323 R -775814.50 -739603.77 -196210.73 160000.00 T= 5177.06 K 2026-05-20 19:21:06,415 INFO - step #324 T -799370.84 -746631.25 -212739.59 160000.00 T= 5162.36 K 2026-05-20 19:21:06,985 INFO - step #325 T -797579.64 -720528.10 -197051.54 120000.00 T= 5088.83 K 2026-05-20 19:21:07,336 INFO - step #326 R -814579.14 -731448.14 -203131.00 120000.00 T= 5044.72 K 2026-05-20 19:21:07,791 INFO - step #327 R -792632.67 -745930.09 -206702.58 160000.00 T= 4985.90 K 2026-05-20 19:21:08,230 INFO - step #328 R -791497.04 -750785.72 -200711.32 160000.00 T= 4927.08 K 2026-05-20 19:21:08,382 INFO - step #329 T -767180.21 -735223.00 -191957.22 160000.00 T= 4912.37 K 2026-05-20 19:21:08,724 INFO - step #330 R -732231.49 -743211.15 -189020.33 200000.00 T= 4868.26 K 2026-05-20 19:21:09,078 INFO - step #331 R -741988.18 -746572.95 -195415.22 200000.00 T= 4824.14 K 2026-05-20 19:21:09,532 INFO - step #332 R -753895.64 -783162.55 -210733.09 240000.00 T= 4765.32 K 2026-05-20 19:21:09,694 INFO - step #333 R -718165.77 -747145.44 -211020.33 240000.00 T= 4750.62 K 2026-05-20 19:21:09,856 INFO - step #334 R -715440.14 -747725.72 -207714.43 240000.00 T= 4735.91 K 2026-05-20 19:21:10,020 INFO - step #335 R -726452.41 -762560.43 -203891.98 240000.00 T= 4721.21 K 2026-05-20 19:21:10,204 INFO - step #336 R -746591.97 -750835.38 -195756.59 200000.00 T= 4706.50 K 2026-05-20 19:21:10,878 INFO - step #337 R -777614.82 -745629.47 -191985.35 160000.00 T= 4618.27 K 2026-05-20 19:21:11,033 INFO - step #338 T -772528.04 -738485.02 -194043.02 160000.00 T= 4603.57 K 2026-05-20 19:21:11,187 INFO - step #339 R -739975.84 -746629.09 -193346.75 200000.00 T= 4588.86 K 2026-05-20 19:21:11,340 INFO - step #340 R -774130.67 -744370.20 -189760.47 160000.00 T= 4574.16 K 2026-05-20 19:21:11,968 INFO - step #341 T -777136.41 -705509.59 -191626.83 120000.00 T= 4485.93 K 2026-05-20 19:21:12,119 INFO - step #342 R -746328.09 -715718.16 -190609.93 160000.00 T= 4471.22 K 2026-05-20 19:21:12,280 INFO - step #343 T -758004.59 -786661.27 -211343.32 240000.00 T= 4456.52 K 2026-05-20 19:21:12,826 INFO - step #344 R -818156.08 -761914.02 -216242.06 160000.00 T= 4382.99 K 2026-05-20 19:21:12,978 INFO - step #345 R -772075.74 -759522.65 -212553.09 200000.00 T= 4368.29 K 2026-05-20 19:21:13,225 INFO - step #346 T -763357.65 -792935.89 -210421.76 240000.00 T= 4338.88 K 2026-05-20 19:21:14,044 INFO - step #347 R -768424.17 -787598.19 -220825.98 240000.00 T= 4221.24 K 2026-05-20 19:21:14,501 INFO - step #348 T -663157.89 -679652.94 -183504.95 200000.00 T= 4162.42 K 2026-05-20 19:21:14,663 INFO - step #349 R -620353.68 -711140.46 -189213.22 280000.00 T= 4147.71 K 2026-05-20 19:21:14,812 INFO - step #350 R -597108.69 -658307.48 -178801.21 240000.00 T= 4133.01 K 2026-05-20 19:21:15,052 INFO - step #351 R -594902.08 -656100.88 -178801.21 240000.00 T= 4103.60 K 2026-05-20 19:21:15,389 INFO - step #352 R -713224.11 -697737.81 -175486.30 160000.00 T= 4059.48 K 2026-05-20 19:21:15,638 INFO - step #353 T -752904.36 -751262.81 -201641.55 200000.00 T= 4030.07 K 2026-05-20 19:21:16,657 INFO - step #354 R -758781.13 -756177.29 -202603.84 200000.00 T= 3883.02 K 2026-05-20 19:21:17,015 INFO - step #355 R -721982.61 -748662.82 -213319.79 240000.00 T= 3838.91 K 2026-05-20 19:21:17,651 INFO - step #356 R -738656.46 -778579.26 -200077.20 240000.00 T= 3750.68 K 2026-05-20 19:21:17,990 INFO - step #357 T -782270.15 -771377.69 -210892.45 200000.00 T= 3706.56 K 2026-05-20 19:21:20,229 INFO - step #358 R -776526.99 -770399.24 -206127.76 200000.00 T= 3368.35 K 2026-05-20 19:21:20,661 INFO - step #359 R -739533.99 -736358.18 -203175.81 200000.00 T= 3309.53 K 2026-05-20 19:21:21,116 INFO - step #360 T -805900.07 -815730.40 -230169.68 240000.00 T= 3250.71 K 2026-05-20 19:21:21,544 INFO - step #361 R -828930.46 -833963.81 -234966.65 240000.00 T= 3191.89 K 2026-05-20 19:21:23,716 INFO - step #362 R -779491.55 -793147.59 -226343.96 240000.00 T= 2868.38 K 2026-05-20 19:21:24,060 INFO - step #363 R -753452.24 -764520.70 -228931.54 240000.00 T= 2824.26 K 2026-05-20 19:21:24,586 INFO - step #364 R -753107.08 -764175.54 -228931.54 240000.00 T= 2750.74 K 2026-05-20 19:21:25,014 INFO - step #365 T -738024.18 -764633.07 -213391.11 240000.00 T= 2691.92 K 2026-05-20 19:21:25,367 INFO - step #366 R -705060.27 -773876.62 -211183.64 280000.00 T= 2647.80 K 2026-05-20 19:21:25,521 INFO - step #367 R -728616.58 -799168.95 -209447.63 280000.00 T= 2633.10 K 2026-05-20 19:21:26,268 INFO - step #368 R -718934.15 -787812.96 -211121.19 280000.00 T= 2530.16 K 2026-05-20 19:21:26,711 INFO - step #369 T -635036.64 -790612.01 -204424.64 360000.00 T= 2471.34 K 2026-05-20 19:21:26,959 INFO - step #370 R -637933.99 -821605.95 -216328.04 400000.00 T= 2441.93 K 2026-05-20 19:21:27,111 INFO - step #371 T -696166.43 -776101.05 -200065.38 280000.00 T= 2427.23 K 2026-05-20 19:21:29,359 INFO - step #372 T -692079.33 -766399.27 -205680.06 280000.00 T= 2412.52 K 2026-05-20 19:21:30,198 INFO - step #373 T -700666.62 -728461.91 -212204.72 240000.00 T= 2309.59 K 2026-05-20 19:21:30,481 INFO - step #374 R -719537.58 -746749.15 -212788.44 240000.00 T= 2280.18 K 2026-05-20 19:21:30,988 INFO - step #375 R -765204.18 -788146.74 -217057.44 240000.00 T= 2221.36 K 2026-05-20 19:21:31,261 INFO - step #376 R -790079.12 -809003.52 -221075.60 240000.00 T= 2191.95 K 2026-05-20 19:21:31,843 INFO - step #377 R -788499.76 -805810.95 -222688.81 240000.00 T= 2118.42 K 2026-05-20 19:21:32,119 INFO - step #378 R -808762.58 -827499.35 -221263.23 240000.00 T= 2089.01 K 2026-05-20 19:21:32,867 INFO - step #379 R -843430.25 -822706.98 -220723.27 200000.00 T= 1986.08 K 2026-05-20 19:21:33,709 INFO - step #380 R -847522.49 -825313.58 -222208.92 200000.00 T= 1868.44 K 2026-05-20 19:21:40,369 INFO - start - parameters: File name /home/rpdock/web/media/jobs/41381c2a-3d81-4eac-863b-b9bf50f42b67//ref_struc/na-prot_1927/na-prot_1927.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-05-20 19:21:41,064 INFO - step #1 R -421739.72 -1141053.21 -280686.51 1000000.00 T= 15000.00 K 2026-05-20 19:21:41,645 INFO - step #2 R -350167.71 -1130957.48 -259210.23 1040000.00 T= 14926.48 K 2026-05-20 19:21:41,799 INFO - step #3 R -360861.63 -1113426.30 -247435.33 1000000.00 T= 14911.77 K 2026-05-20 19:21:41,954 INFO - step #4 R -345817.63 -1124465.82 -261351.82 1040000.00 T= 14897.07 K 2026-05-20 19:21:42,210 INFO - step #5 R -332752.22 -1115480.88 -257271.33 1040000.00 T= 14867.66 K 2026-05-20 19:21:42,365 INFO - step #6 T -496789.18 -1066610.87 -270178.31 840000.00 T= 14852.95 K 2026-05-20 19:21:42,898 INFO - step #7 R -404537.20 -1102038.98 -262498.21 960000.00 T= 14794.13 K 2026-05-20 19:21:43,054 INFO - step #8 R -355970.07 -1086728.36 -269241.71 1000000.00 T= 14779.43 K 2026-05-20 19:21:43,207 INFO - step #9 R -450085.01 -1068840.30 -261244.71 880000.00 T= 14764.72 K 2026-05-20 19:21:43,363 INFO - step #10 R -408476.23 -1102723.12 -265753.12 960000.00 T= 14750.02 K 2026-05-20 19:21:43,520 INFO - step #11 R -399839.50 -1088165.59 -271673.91 960000.00 T= 14735.31 K 2026-05-20 19:21:44,095 INFO - step #12 T -148785.13 -1129672.53 -259112.61 1240000.00 T= 14661.79 K 2026-05-20 19:21:44,252 INFO - step #13 R -184405.86 -1140650.70 -283755.16 1240000.00 T= 14647.08 K 2026-05-20 19:21:44,725 INFO - step #14 T -61312.96 -1108426.87 -272886.09 1320000.00 T= 14588.26 K 2026-05-20 19:21:44,979 INFO - step #15 R -206827.16 -1093238.33 -273588.84 1160000.00 T= 14573.56 K 2026-05-20 19:21:45,241 INFO - step #16 R -185177.36 -1156042.26 -269135.09 1240000.00 T= 14544.15 K 2026-05-20 19:21:45,402 INFO - step #17 R -175688.76 -1148063.59 -267625.17 1240000.00 T= 14529.44 K 2026-05-20 19:21:45,559 INFO - step #18 T -256490.91 -1155339.28 -261151.63 1160000.00 T= 14514.74 K 2026-05-20 19:21:45,820 INFO - step #19 R -260004.58 -1158852.95 -261151.63 1160000.00 T= 14485.33 K 2026-05-20 19:21:45,975 INFO - step #20 T -89505.63 -1057053.26 -232452.36 1200000.00 T= 14470.62 K 2026-05-20 19:21:46,131 INFO - step #21 R -87058.65 -1049623.07 -237435.58 1200000.00 T= 14455.92 K 2026-05-20 19:21:46,287 INFO - step #22 R -154879.59 -1049732.30 -265147.29 1160000.00 T= 14441.21 K 2026-05-20 19:21:46,694 INFO - step #23 T -303451.03 -1192977.71 -270473.33 1160000.00 T= 14411.80 K 2026-05-20 19:21:47,061 INFO - step #24 R -218612.01 -1116730.23 -261881.78 1160000.00 T= 14367.69 K 2026-05-20 19:21:47,324 INFO - step #25 R -242306.56 -1148800.49 -253506.07 1160000.00 T= 14338.28 K 2026-05-20 19:21:47,588 INFO - step #26 T -142103.51 -1195324.80 -266778.71 1320000.00 T= 14308.87 K 2026-05-20 19:21:47,851 INFO - step #27 T 100956.46 -1148141.57 -270901.96 1520000.00 T= 14279.46 K 2026-05-20 19:21:48,012 INFO - step #28 T -63133.20 -1217302.54 -285830.67 1440000.00 T= 14264.75 K 2026-05-20 19:21:48,172 INFO - step #29 R -183654.76 -1221389.54 -282265.22 1320000.00 T= 14250.05 K 2026-05-20 19:21:48,439 INFO - step #30 R -134744.52 -1178734.58 -276009.94 1320000.00 T= 14220.64 K 2026-05-20 19:21:48,881 INFO - step #31 T -211907.10 -1171171.94 -280735.16 1240000.00 T= 14191.23 K 2026-05-20 19:21:49,255 INFO - step #32 R -112256.61 -1204654.23 -267602.37 1360000.00 T= 14147.11 K 2026-05-20 19:21:49,417 INFO - step #33 R -311528.23 -1193927.02 -277601.21 1160000.00 T= 14132.41 K 2026-05-20 19:21:49,685 INFO - step #34 R -296728.27 -1178888.68 -277839.59 1160000.00 T= 14103.00 K 2026-05-20 19:21:50,162 INFO - step #35 R -117374.73 -1168343.19 -269031.54 1320000.00 T= 14044.18 K 2026-05-20 19:21:50,427 INFO - step #36 R -167140.74 -1199405.37 -287735.37 1320000.00 T= 14014.77 K 2026-05-20 19:21:51,125 INFO - step #37 T 39912.49 -1168202.91 -271884.60 1480000.00 T= 13926.54 K 2026-05-20 19:21:51,612 INFO - step #38 T -346449.61 -1086394.72 -260054.89 1000000.00 T= 13897.13 K 2026-05-20 19:21:51,771 INFO - step #39 R -441819.57 -1147714.23 -254105.34 960000.00 T= 13882.42 K 2026-05-20 19:21:51,930 INFO - step #40 R -421579.99 -1174349.40 -247230.59 1000000.00 T= 13867.72 K 2026-05-20 19:21:52,192 INFO - step #41 T -733895.85 -1078501.82 -255394.03 600000.00 T= 13838.31 K 2026-05-20 19:21:52,346 INFO - step #42 R -547859.32 -1042045.08 -265814.24 760000.00 T= 13823.60 K 2026-05-20 19:21:52,611 INFO - step #43 R -565601.29 -1063732.94 -261868.35 760000.00 T= 13794.19 K 2026-05-20 19:21:52,868 INFO - step #44 R -577336.05 -1080489.47 -256846.58 760000.00 T= 13764.78 K 2026-05-20 19:21:53,129 INFO - step #45 T -556409.84 -1053286.71 -263123.13 760000.00 T= 13735.37 K 2026-05-20 19:21:53,501 INFO - step #46 R -556409.84 -1053286.71 -263123.13 760000.00 T= 13691.26 K 2026-05-20 19:21:53,764 INFO - step #47 R -481852.00 -1064741.55 -257110.45 840000.00 T= 13661.85 K 2026-05-20 19:21:54,187 INFO - step #48 R -507912.50 -1048939.10 -258973.40 800000.00 T= 13647.14 K 2026-05-20 19:21:54,343 INFO - step #49 R -723078.02 -1065095.03 -257982.99 600000.00 T= 13632.44 K 2026-05-20 19:21:54,503 INFO - step #50 T -720531.08 -995278.12 -245252.97 520000.00 T= 13617.73 K 2026-05-20 19:21:54,763 INFO - step #51 R -787322.97 -1053291.19 -254031.78 520000.00 T= 13588.32 K 2026-05-20 19:21:55,127 INFO - step #52 R -776121.64 -1037546.10 -258575.54 520000.00 T= 13544.21 K 2026-05-20 19:21:55,593 INFO - step #53 T -679834.29 -1007737.79 -232096.50 560000.00 T= 13485.39 K 2026-05-20 19:21:55,856 INFO - step #54 T -646359.80 -942303.68 -224056.13 520000.00 T= 13455.98 K 2026-05-20 19:21:56,008 INFO - step #55 T -838136.72 -941589.34 -216547.38 320000.00 T= 13441.27 K 2026-05-20 19:21:56,256 INFO - step #56 T -814844.02 -911952.05 -222891.97 320000.00 T= 13411.86 K 2026-05-20 19:21:56,510 INFO - step #57 T -820874.30 -926707.87 -214166.43 320000.00 T= 13382.45 K 2026-05-20 19:21:56,865 INFO - step #58 T -876919.65 -935136.56 -221783.09 280000.00 T= 13338.34 K 2026-05-20 19:21:57,128 INFO - step #59 R -883441.41 -907652.37 -215789.04 240000.00 T= 13308.93 K 2026-05-20 19:21:57,616 INFO - step #60 R -782174.28 -848534.67 -213639.61 280000.00 T= 13294.22 K 2026-05-20 19:21:57,769 INFO - step #61 T -851161.12 -947448.67 -223712.45 320000.00 T= 13279.52 K 2026-05-20 19:21:57,922 INFO - step #62 T -766342.38 -871534.08 -214808.29 320000.00 T= 13264.81 K 2026-05-20 19:21:58,275 INFO - step #63 T -730654.73 -917355.24 -213299.49 400000.00 T= 13220.70 K 2026-05-20 19:21:58,530 INFO - step #64 R -659248.65 -895118.76 -204129.89 440000.00 T= 13191.29 K 2026-05-20 19:21:58,685 INFO - step #65 R -670947.95 -901294.35 -209653.60 440000.00 T= 13176.58 K 2026-05-20 19:21:58,839 INFO - step #66 R -781241.40 -896906.71 -204334.69 320000.00 T= 13161.88 K 2026-05-20 19:21:58,990 INFO - step #67 R -764850.62 -882062.90 -202787.72 320000.00 T= 13147.17 K 2026-05-20 19:21:59,142 INFO - step #68 T -704308.71 -859396.67 -204912.04 360000.00 T= 13132.47 K 2026-05-20 19:21:59,293 INFO - step #69 R -736493.63 -855861.26 -200632.37 320000.00 T= 13117.76 K 2026-05-20 19:21:59,441 INFO - step #70 R -716941.58 -869279.38 -207662.19 360000.00 T= 13103.06 K 2026-05-20 19:21:59,688 INFO - step #71 R -689631.49 -845512.95 -204118.54 360000.00 T= 13073.65 K 2026-05-20 19:21:59,839 INFO - step #72 T -666546.59 -865203.55 -201343.04 400000.00 T= 13058.94 K 2026-05-20 19:22:00,367 INFO - step #73 R -643392.30 -848569.57 -194822.73 400000.00 T= 12985.42 K 2026-05-20 19:22:01,116 INFO - step #74 T -699833.79 -829193.50 -190640.30 320000.00 T= 12941.30 K 2026-05-20 19:22:01,364 INFO - step #75 R -688596.14 -828348.29 -180247.85 320000.00 T= 12911.89 K 2026-05-20 19:22:01,617 INFO - step #76 T -524245.87 -852128.16 -192117.71 520000.00 T= 12882.48 K 2026-05-20 19:22:01,773 INFO - step #77 R -521151.09 -849184.18 -191966.91 520000.00 T= 12867.78 K 2026-05-20 19:22:01,939 INFO - step #78 R -519732.65 -846642.13 -193090.53 520000.00 T= 12853.07 K 2026-05-20 19:22:02,102 INFO - step #79 R -574506.25 -886810.98 -207695.27 520000.00 T= 12838.37 K 2026-05-20 19:22:02,374 INFO - step #80 T -653031.98 -853295.39 -199736.59 400000.00 T= 12808.96 K 2026-05-20 19:22:02,641 INFO - step #81 R -643018.79 -844705.73 -198313.06 400000.00 T= 12779.55 K 2026-05-20 19:22:02,911 INFO - step #82 T -650839.42 -943044.34 -227795.08 520000.00 T= 12750.14 K 2026-05-20 19:22:03,164 INFO - step #83 R -619976.02 -913201.29 -226774.73 520000.00 T= 12720.73 K 2026-05-20 19:22:03,318 INFO - step #84 R -748886.36 -915924.15 -232962.21 400000.00 T= 12706.02 K 2026-05-20 19:22:03,784 INFO - step #85 T -718029.09 -989373.36 -248655.72 520000.00 T= 12647.20 K 2026-05-20 19:22:04,438 INFO - step #86 T -670254.23 -899917.62 -210336.61 440000.00 T= 12558.97 K 2026-05-20 19:22:04,685 INFO - step #87 R -820198.22 -925621.11 -214577.11 320000.00 T= 12529.56 K 2026-05-20 19:22:04,840 INFO - step #88 T -730735.73 -976204.27 -234531.47 480000.00 T= 12514.86 K 2026-05-20 19:22:04,993 INFO - step #89 R -899202.90 -984779.82 -234423.08 320000.00 T= 12500.15 K 2026-05-20 19:22:05,649 INFO - step #90 T -743488.86 -922783.66 -220705.20 400000.00 T= 12411.92 K 2026-05-20 19:22:05,802 INFO - step #91 R -743488.86 -922783.66 -220705.20 400000.00 T= 12397.22 K 2026-05-20 19:22:06,468 INFO - step #92 R -719377.05 -901905.69 -217471.36 400000.00 T= 12382.51 K 2026-05-20 19:22:06,627 INFO - step #93 R -656748.72 -929153.33 -207595.39 480000.00 T= 12367.81 K 2026-05-20 19:22:07,092 INFO - step #94 T -749198.09 -960881.54 -228316.55 440000.00 T= 12308.99 K 2026-05-20 19:22:07,766 INFO - step #95 R -624883.75 -889052.47 -215831.27 480000.00 T= 12220.76 K 2026-05-20 19:22:07,917 INFO - step #96 T -460742.68 -897683.65 -203059.02 640000.00 T= 12206.05 K 2026-05-20 19:22:08,068 INFO - step #97 T -496696.05 -817790.59 -198905.46 520000.00 T= 12191.35 K 2026-05-20 19:22:08,721 INFO - step #98 R -539501.95 -818560.91 -200941.04 480000.00 T= 12103.12 K 2026-05-20 19:22:08,873 INFO - step #99 T -387616.82 -845797.64 -181819.18 640000.00 T= 12088.41 K 2026-05-20 19:22:09,022 INFO - step #100 T -432940.73 -761924.11 -191016.61 520000.00 T= 12073.71 K 2026-05-20 19:22:09,173 INFO - step #101 T -614603.68 -840800.97 -173802.71 400000.00 T= 12059.00 K 2026-05-20 19:22:09,432 INFO - step #102 R -411030.47 -795667.41 -175363.06 560000.00 T= 12029.59 K 2026-05-20 19:22:09,587 INFO - step #103 T -474416.63 -878157.90 -196258.73 600000.00 T= 12014.89 K 2026-05-20 19:22:09,849 INFO - step #104 T -516798.47 -886274.95 -230523.51 600000.00 T= 11985.48 K 2026-05-20 19:22:10,206 INFO - step #105 R -449140.05 -866067.90 -223072.15 640000.00 T= 11941.36 K 2026-05-20 19:22:10,361 INFO - step #106 R -511202.90 -879036.43 -192166.47 560000.00 T= 11926.66 K 2026-05-20 19:22:10,620 INFO - step #107 R -496375.58 -890898.17 -205477.41 600000.00 T= 11897.25 K 2026-05-20 19:22:10,773 INFO - step #108 R -664292.28 -899760.40 -204531.88 440000.00 T= 11882.54 K 2026-05-20 19:22:10,934 INFO - step #109 T -562096.96 -949156.81 -212940.16 600000.00 T= 11867.84 K 2026-05-20 19:22:11,381 INFO - step #110 T -559035.35 -852112.75 -186922.60 480000.00 T= 11809.02 K 2026-05-20 19:22:11,533 INFO - step #111 R -547172.43 -835487.59 -191684.84 480000.00 T= 11794.31 K 2026-05-20 19:22:11,688 INFO - step #112 R -559080.74 -872899.20 -206181.54 520000.00 T= 11779.61 K 2026-05-20 19:22:12,449 INFO - step #113 R -492574.89 -839527.64 -213047.26 560000.00 T= 11764.90 K 2026-05-20 19:22:12,610 INFO - step #114 T -746752.72 -865774.66 -200978.05 320000.00 T= 11750.20 K 2026-05-20 19:22:12,864 INFO - step #115 T -864956.34 -944474.58 -240481.76 320000.00 T= 11720.79 K 2026-05-20 19:22:13,326 INFO - step #116 R -904919.50 -930200.03 -214719.46 240000.00 T= 11661.97 K 2026-05-20 19:22:13,483 INFO - step #117 R -752001.53 -934970.56 -217030.97 400000.00 T= 11647.26 K 2026-05-20 19:22:13,852 INFO - step #118 R -893961.39 -915050.38 -218911.02 240000.00 T= 11603.15 K 2026-05-20 19:22:14,229 INFO - step #119 R -847068.02 -884449.05 -202618.97 240000.00 T= 11559.03 K 2026-05-20 19:22:14,395 INFO - step #120 R -886893.14 -919289.74 -207603.40 240000.00 T= 11544.33 K 2026-05-20 19:22:15,213 INFO - step #121 T -705414.11 -922946.54 -262467.58 480000.00 T= 11441.39 K 2026-05-20 19:22:15,806 INFO - step #122 R -670589.56 -896042.09 -254547.47 480000.00 T= 11367.87 K 2026-05-20 19:22:15,962 INFO - step #123 R -706794.31 -924201.75 -262592.57 480000.00 T= 11353.16 K 2026-05-20 19:22:16,228 INFO - step #124 R -684488.10 -883076.97 -241411.13 440000.00 T= 11323.75 K 2026-05-20 19:22:16,598 INFO - step #125 R -721740.24 -931213.02 -270527.22 480000.00 T= 11279.64 K 2026-05-20 19:22:16,758 INFO - step #126 R -508790.73 -924322.60 -264468.13 680000.00 T= 11264.93 K 2026-05-20 19:22:16,928 INFO - step #127 R -724298.41 -945107.29 -259191.12 480000.00 T= 11250.23 K 2026-05-20 19:22:17,303 INFO - step #128 R -717642.28 -943668.32 -253973.96 480000.00 T= 11206.11 K 2026-05-20 19:22:17,467 INFO - step #129 R -500542.66 -922298.74 -258243.93 680000.00 T= 11191.41 K 2026-05-20 19:22:17,627 INFO - step #130 T -604817.84 -834920.73 -209897.11 440000.00 T= 11176.70 K 2026-05-20 19:22:17,881 INFO - step #131 T -627168.53 -798733.45 -188435.08 360000.00 T= 11147.29 K 2026-05-20 19:22:18,253 INFO - step #132 R -717476.68 -878208.30 -199268.38 360000.00 T= 11103.18 K 2026-05-20 19:22:18,853 INFO - step #133 T -675439.47 -850469.19 -184970.27 360000.00 T= 11029.65 K 2026-05-20 19:22:19,026 INFO - step #134 R -765864.57 -849202.74 -196661.83 280000.00 T= 11014.95 K 2026-05-20 19:22:19,195 INFO - step #135 R -759356.88 -849259.49 -190097.40 280000.00 T= 11000.24 K 2026-05-20 19:22:19,364 INFO - step #136 R -708467.76 -831151.47 -197316.29 320000.00 T= 10985.54 K 2026-05-20 19:22:19,640 INFO - step #137 R -761246.17 -846007.69 -195238.48 280000.00 T= 10956.13 K 2026-05-20 19:22:20,763 INFO - step #138 R -756224.31 -841336.21 -194888.10 280000.00 T= 10912.01 K 2026-05-20 19:22:21,622 INFO - step #139 R -670473.55 -847003.94 -183469.61 360000.00 T= 10809.08 K 2026-05-20 19:22:21,793 INFO - step #140 T -677997.64 -820020.34 -177977.30 320000.00 T= 10794.37 K 2026-05-20 19:22:21,968 INFO - step #141 T -447336.13 -816770.70 -190565.43 560000.00 T= 10779.67 K 2026-05-20 19:22:22,385 INFO - step #142 T -640933.49 -912297.66 -208635.83 480000.00 T= 10735.55 K 2026-05-20 19:22:22,793 INFO - step #143 R -650840.40 -904730.30 -226110.10 480000.00 T= 10691.44 K 2026-05-20 19:22:23,408 INFO - step #144 T -705468.37 -911071.23 -234397.14 440000.00 T= 10617.91 K 2026-05-20 19:22:23,580 INFO - step #145 R -699305.83 -909393.23 -229912.60 440000.00 T= 10603.21 K 2026-05-20 19:22:23,744 INFO - step #146 R -607855.37 -902784.79 -225070.58 520000.00 T= 10588.50 K 2026-05-20 19:22:23,914 INFO - step #147 R -611443.49 -910711.37 -220732.13 520000.00 T= 10573.80 K 2026-05-20 19:22:24,078 INFO - step #148 R -615415.48 -910019.59 -225395.90 520000.00 T= 10559.09 K 2026-05-20 19:22:24,246 INFO - step #149 T -861560.34 -904116.02 -237444.32 280000.00 T= 10544.39 K 2026-05-20 19:22:24,408 INFO - step #150 R -876039.68 -891818.15 -224221.53 240000.00 T= 10529.68 K 2026-05-20 19:22:24,570 INFO - step #151 T -698300.34 -910977.98 -227322.36 440000.00 T= 10514.98 K 2026-05-20 19:22:24,737 INFO - step #152 T -730739.04 -888339.89 -202399.16 360000.00 T= 10500.27 K 2026-05-20 19:22:24,902 INFO - step #153 R -768173.06 -880716.43 -207456.63 320000.00 T= 10485.57 K 2026-05-20 19:22:25,175 INFO - step #154 T -887059.71 -891553.11 -235506.60 240000.00 T= 10456.16 K 2026-05-20 19:22:25,451 INFO - step #155 T -855464.14 -891580.26 -203883.88 240000.00 T= 10426.75 K 2026-05-20 19:22:26,442 INFO - step #156 R -841129.50 -930953.38 -230176.12 320000.00 T= 10309.11 K 2026-05-20 19:22:26,945 INFO - step #157 R -861250.95 -895938.06 -205312.89 240000.00 T= 10264.99 K 2026-05-20 19:22:27,186 INFO - step #158 R -914315.85 -899011.19 -215304.66 200000.00 T= 10250.29 K 2026-05-20 19:22:27,613 INFO - step #159 R -695845.46 -904246.61 -231598.85 440000.00 T= 10206.17 K 2026-05-20 19:22:27,791 INFO - step #160 R -529176.66 -908486.19 -220690.47 600000.00 T= 10191.47 K 2026-05-20 19:22:28,065 INFO - step #161 T -632030.64 -948022.20 -244008.44 560000.00 T= 10162.06 K 2026-05-20 19:22:28,560 INFO - step #162 R -612990.51 -896277.33 -236713.18 520000.00 T= 10103.24 K 2026-05-20 19:22:28,727 INFO - step #163 R -801683.18 -916074.21 -245608.97 360000.00 T= 10088.53 K 2026-05-20 19:22:28,897 INFO - step #164 R -564112.59 -927796.52 -236316.07 600000.00 T= 10073.83 K 2026-05-20 19:22:29,198 INFO - step #165 T -537409.76 -908728.62 -228681.14 600000.00 T= 10044.42 K 2026-05-20 19:22:29,641 INFO - step #166 R -535416.74 -906735.60 -228681.14 600000.00 T= 10000.30 K 2026-05-20 19:22:29,934 INFO - step #167 R -698803.99 -855348.52 -203455.46 360000.00 T= 9970.89 K 2026-05-20 19:22:30,467 INFO - step #168 T -629228.90 -876972.88 -232256.02 480000.00 T= 9912.07 K 2026-05-20 19:22:31,870 INFO - step #169 R -594790.64 -852722.60 -222068.04 480000.00 T= 9867.96 K 2026-05-20 19:22:32,450 INFO - step #170 R -611081.04 -830265.73 -220815.31 440000.00 T= 9809.14 K 2026-05-20 19:22:32,759 INFO - step #171 R -609485.21 -827125.37 -222359.84 440000.00 T= 9779.73 K 2026-05-20 19:22:33,046 INFO - step #172 R -701213.97 -880966.73 -220247.24 400000.00 T= 9750.32 K 2026-05-20 19:22:33,216 INFO - step #173 R -627700.90 -846111.48 -221589.41 440000.00 T= 9735.61 K 2026-05-20 19:22:33,411 INFO - step #174 R -684327.39 -868282.20 -216045.19 400000.00 T= 9720.91 K 2026-05-20 19:22:33,597 INFO - step #175 R -675401.39 -863176.57 -212224.82 400000.00 T= 9706.20 K 2026-05-20 19:22:33,784 INFO - step #176 T -462790.55 -888514.24 -214276.31 640000.00 T= 9691.50 K 2026-05-20 19:22:33,979 INFO - step #177 T -624712.61 -887305.13 -217407.48 480000.00 T= 9676.79 K 2026-05-20 19:22:34,283 INFO - step #178 T -708186.79 -864029.65 -204157.14 360000.00 T= 9647.38 K 2026-05-20 19:22:36,080 INFO - step #179 R -684245.59 -842994.82 -201250.77 360000.00 T= 9426.81 K 2026-05-20 19:22:36,498 INFO - step #180 R -587421.29 -892550.92 -214870.37 520000.00 T= 9382.69 K 2026-05-20 19:22:37,007 INFO - step #181 R -670255.61 -858541.13 -211714.47 400000.00 T= 9323.87 K 2026-05-20 19:22:37,578 INFO - step #182 R -646713.17 -836095.47 -210617.70 400000.00 T= 9265.05 K 2026-05-20 19:22:38,223 INFO - step #183 T -655256.88 -963603.29 -251653.59 560000.00 T= 9191.53 K 2026-05-20 19:22:38,530 INFO - step #184 R -659356.71 -958951.79 -260404.92 560000.00 T= 9162.12 K 2026-05-20 19:22:39,182 INFO - step #185 T -664708.41 -942288.37 -242420.04 520000.00 T= 9088.59 K 2026-05-20 19:22:39,594 INFO - step #186 T -273641.00 -929368.35 -224272.65 880000.00 T= 9044.48 K 2026-05-20 19:22:39,774 INFO - step #187 T -354346.65 -971408.50 -262938.15 880000.00 T= 9029.77 K 2026-05-20 19:22:39,951 INFO - step #188 R -201286.44 -973305.92 -267980.52 1040000.00 T= 9015.07 K 2026-05-20 19:22:40,127 INFO - step #189 T -771739.06 -1057610.88 -274128.18 560000.00 T= 9000.36 K 2026-05-20 19:22:40,535 INFO - step #190 R -800227.13 -1040193.27 -280033.86 520000.00 T= 8956.25 K 2026-05-20 19:22:40,843 INFO - step #191 R -803981.75 -1045539.25 -278442.49 520000.00 T= 8926.84 K 2026-05-20 19:22:41,374 INFO - step #192 R -802902.74 -1042868.88 -280033.86 520000.00 T= 8868.02 K 2026-05-20 19:22:41,915 INFO - step #193 T -658277.97 -909427.51 -228850.46 480000.00 T= 8809.20 K 2026-05-20 19:22:42,309 INFO - step #194 T -653036.51 -887615.17 -205421.35 440000.00 T= 8765.08 K 2026-05-20 19:22:43,075 INFO - step #195 T -605489.42 -898226.42 -227263.01 520000.00 T= 8691.56 K 2026-05-20 19:22:43,288 INFO - step #196 R -507405.29 -981565.53 -245839.76 720000.00 T= 8676.85 K 2026-05-20 19:22:43,549 INFO - step #197 R -393869.75 -854312.56 -219557.19 680000.00 T= 8662.15 K 2026-05-20 19:22:43,750 INFO - step #198 R -440296.20 -860800.62 -219495.58 640000.00 T= 8647.44 K 2026-05-20 19:22:44,082 INFO - step #199 T -494810.38 -882461.13 -212349.25 600000.00 T= 8618.03 K 2026-05-20 19:22:44,283 INFO - step #200 R -450990.95 -879262.25 -211728.70 640000.00 T= 8603.33 K 2026-05-20 19:22:46,904 INFO - step #201 T -470509.16 -760366.46 -190142.70 480000.00 T= 8559.21 K 2026-05-20 19:22:47,074 INFO - step #202 T -545388.76 -786007.70 -199381.05 440000.00 T= 8544.51 K 2026-05-20 19:22:47,672 INFO - step #203 T -511220.00 -730466.60 -180753.41 400000.00 T= 8470.98 K 2026-05-20 19:22:47,944 INFO - step #204 R -531276.20 -750747.50 -180528.70 400000.00 T= 8441.57 K 2026-05-20 19:22:49,095 INFO - step #205 R -534910.54 -752884.64 -182025.90 400000.00 T= 8294.52 K 2026-05-20 19:22:51,298 INFO - step #206 T -563098.88 -804160.37 -198938.52 440000.00 T= 8191.59 K 2026-05-20 19:22:51,489 INFO - step #207 R -537235.17 -779085.83 -198149.34 440000.00 T= 8176.88 K 2026-05-20 19:22:52,462 INFO - step #208 T -571918.82 -774827.87 -197090.94 400000.00 T= 8059.24 K 2026-05-20 19:22:52,864 INFO - step #209 R -563474.09 -767589.89 -195884.20 400000.00 T= 8015.13 K 2026-05-20 19:22:54,789 INFO - step #210 R -549150.00 -774289.65 -174860.35 400000.00 T= 7809.26 K 2026-05-20 19:22:56,225 INFO - step #211 T -475509.45 -743281.23 -172228.22 440000.00 T= 7676.91 K 2026-05-20 19:22:57,447 INFO - step #212 R -470881.45 -737304.97 -173576.48 440000.00 T= 7544.57 K 2026-05-20 19:22:57,750 INFO - step #213 R -459476.92 -736258.84 -163218.08 440000.00 T= 7515.16 K 2026-05-20 19:22:57,946 INFO - step #214 R -460195.15 -738488.33 -161706.82 440000.00 T= 7500.45 K 2026-05-20 19:22:58,363 INFO - step #215 T -473663.90 -747000.92 -166662.98 440000.00 T= 7456.34 K 2026-05-20 19:22:58,674 INFO - step #216 R -509850.59 -763865.23 -185985.36 440000.00 T= 7426.93 K 2026-05-20 19:22:59,218 INFO - step #217 T -507943.46 -728309.13 -179634.32 400000.00 T= 7368.11 K 2026-05-20 19:22:59,956 INFO - step #218 R -527542.98 -752555.98 -174987.00 400000.00 T= 7279.88 K 2026-05-20 19:23:00,458 INFO - step #219 R -499599.64 -726443.88 -173155.76 400000.00 T= 7221.06 K 2026-05-20 19:23:00,882 INFO - step #220 R -512991.05 -734715.33 -178275.71 400000.00 T= 7176.94 K 2026-05-20 19:23:01,268 INFO - step #221 T -467515.13 -703327.71 -164187.42 400000.00 T= 7147.53 K 2026-05-20 19:23:01,564 INFO - step #222 R -471754.97 -705940.03 -165814.94 400000.00 T= 7118.12 K 2026-05-20 19:23:01,864 INFO - step #223 R -457739.40 -695527.46 -162211.94 400000.00 T= 7088.71 K 2026-05-20 19:23:02,415 INFO - step #224 R -459080.53 -696726.28 -162354.25 400000.00 T= 7029.89 K 2026-05-20 19:23:03,209 INFO - step #225 T -436462.85 -709621.09 -166841.76 440000.00 T= 6941.66 K 2026-05-20 19:23:03,420 INFO - step #226 R -213616.19 -714176.75 -179439.45 680000.00 T= 6926.96 K 2026-05-20 19:23:03,591 INFO - step #227 R -210808.69 -708201.93 -182606.76 680000.00 T= 6912.25 K 2026-05-20 19:23:03,762 INFO - step #228 R -192537.63 -695852.28 -176685.36 680000.00 T= 6897.55 K 2026-05-20 19:23:03,931 INFO - step #229 T -396851.18 -726942.49 -189908.69 520000.00 T= 6882.84 K 2026-05-20 19:23:04,103 INFO - step #230 R -390540.92 -790886.83 -199654.09 600000.00 T= 6868.14 K 2026-05-20 19:23:04,401 INFO - step #231 T -579845.91 -861282.13 -198563.78 480000.00 T= 6838.73 K 2026-05-20 19:23:04,811 INFO - step #232 R -597497.02 -787811.74 -209685.28 400000.00 T= 6794.61 K 2026-05-20 19:23:05,091 INFO - step #233 T -527539.16 -730458.16 -197081.00 400000.00 T= 6765.20 K 2026-05-20 19:23:05,303 INFO - step #234 T -483302.09 -686600.40 -156701.69 360000.00 T= 6750.50 K 2026-05-20 19:23:05,713 INFO - step #235 T -504999.59 -702846.66 -162152.93 360000.00 T= 6706.38 K 2026-05-20 19:23:06,096 INFO - step #236 R -554086.70 -710612.71 -163473.99 320000.00 T= 6662.27 K 2026-05-20 19:23:06,381 INFO - step #237 R -495016.06 -694411.06 -160604.99 360000.00 T= 6632.86 K 2026-05-20 19:23:06,560 INFO - step #238 T -410001.65 -748508.17 -181493.49 520000.00 T= 6618.15 K 2026-05-20 19:23:06,841 INFO - step #239 R -423123.10 -820123.38 -202999.72 600000.00 T= 6588.74 K 2026-05-20 19:23:07,016 INFO - step #240 T -551588.31 -759650.35 -191937.97 400000.00 T= 6574.04 K 2026-05-20 19:23:07,504 INFO - step #241 R -553508.33 -766466.44 -187041.89 400000.00 T= 6515.22 K 2026-05-20 19:23:07,775 INFO - step #242 T -555807.57 -827728.55 -208079.02 480000.00 T= 6485.81 K 2026-05-20 19:23:08,155 INFO - step #243 R -557218.23 -829139.21 -208079.02 480000.00 T= 6441.69 K 2026-05-20 19:23:08,438 INFO - step #244 T -571110.46 -787737.78 -183372.67 400000.00 T= 6412.28 K 2026-05-20 19:23:08,725 INFO - step #245 R -578043.74 -794681.17 -183362.58 400000.00 T= 6382.87 K 2026-05-20 19:23:08,899 INFO - step #246 R -664465.21 -840577.73 -183887.48 360000.00 T= 6368.17 K 2026-05-20 19:23:09,084 INFO - step #247 R -731880.98 -851557.06 -200323.92 320000.00 T= 6353.46 K 2026-05-20 19:23:10,653 INFO - step #248 R -724177.51 -845439.94 -198737.57 320000.00 T= 6162.30 K 2026-05-20 19:23:11,170 INFO - step #249 R -724177.51 -845439.94 -198737.57 320000.00 T= 6103.48 K 2026-05-20 19:23:13,172 INFO - step #250 R -665694.41 -837244.29 -188450.12 360000.00 T= 6059.36 K 2026-05-20 19:23:13,720 INFO - step #251 R -694236.64 -828400.50 -185836.14 320000.00 T= 6015.25 K 2026-05-20 19:23:13,918 INFO - step #252 R -682879.72 -822700.98 -180178.73 320000.00 T= 6000.54 K 2026-05-20 19:23:14,723 INFO - step #253 R -714053.44 -835426.45 -198626.98 320000.00 T= 5912.31 K 2026-05-20 19:23:16,032 INFO - step #254 R -728005.03 -847681.11 -200323.92 320000.00 T= 5750.56 K 2026-05-20 19:23:17,077 INFO - step #255 R -692791.56 -834089.38 -178702.18 320000.00 T= 5632.92 K 2026-05-20 19:23:17,253 INFO - step #256 R -660876.28 -831028.37 -189847.91 360000.00 T= 5618.21 K 2026-05-20 19:23:18,296 INFO - step #257 R -727773.54 -848887.25 -198886.29 320000.00 T= 5500.57 K 2026-05-20 19:23:20,780 INFO - step #258 R -709471.19 -841237.30 -188233.88 320000.00 T= 5206.47 K 2026-05-20 19:23:22,986 INFO - step #259 T -695732.57 -784775.09 -190957.48 280000.00 T= 4941.78 K 2026-05-20 19:23:23,264 INFO - step #260 R -663027.50 -757695.46 -185332.04 280000.00 T= 4912.37 K 2026-05-20 19:23:24,305 INFO - step #261 R -698113.78 -780771.23 -197342.55 280000.00 T= 4780.03 K 2026-05-20 19:23:24,594 INFO - step #262 T -725531.25 -816752.56 -188778.70 280000.00 T= 4750.62 K 2026-05-20 19:23:24,771 INFO - step #263 T -668859.72 -730450.31 -178409.42 240000.00 T= 4735.91 K 2026-05-20 19:23:25,310 INFO - step #264 T -665377.62 -756789.02 -188588.61 280000.00 T= 4677.09 K 2026-05-20 19:23:26,073 INFO - step #265 R -663902.75 -768353.91 -175548.85 280000.00 T= 4588.86 K 2026-05-20 19:23:26,275 INFO - step #266 R -661785.27 -760063.44 -181721.82 280000.00 T= 4574.16 K 2026-05-20 19:23:26,453 INFO - step #267 R -661565.80 -759843.98 -181721.82 280000.00 T= 4559.45 K 2026-05-20 19:23:27,092 INFO - step #268 T -577811.12 -687282.17 -170528.95 280000.00 T= 4485.93 K 2026-05-20 19:23:27,284 INFO - step #269 T -574422.96 -663914.01 -150508.95 240000.00 T= 4471.22 K 2026-05-20 19:23:27,676 INFO - step #270 R -527029.36 -651904.13 -155125.23 280000.00 T= 4427.11 K 2026-05-20 19:23:28,516 INFO - step #271 T -589971.23 -739775.45 -170195.79 320000.00 T= 4324.17 K 2026-05-20 19:23:28,804 INFO - step #272 T -687224.31 -773997.25 -193227.05 280000.00 T= 4294.76 K 2026-05-20 19:23:29,516 INFO - step #273 R -665904.92 -760888.16 -185016.77 280000.00 T= 4221.24 K 2026-05-20 19:23:31,163 INFO - step #274 R -664247.12 -760804.71 -183442.42 280000.00 T= 4015.37 K 2026-05-20 19:23:33,117 INFO - step #275 R -672792.21 -767845.23 -184946.98 280000.00 T= 3780.09 K 2026-05-20 19:23:33,836 INFO - step #276 T -722562.66 -851570.99 -190991.67 320000.00 T= 3706.56 K 2026-05-20 19:23:34,693 INFO - step #277 R -757019.60 -878828.08 -198191.52 320000.00 T= 3618.33 K 2026-05-20 19:23:35,214 INFO - step #278 R -761938.95 -881687.27 -200251.68 320000.00 T= 3559.51 K 2026-05-20 19:23:35,617 INFO - step #279 R -763165.18 -883102.07 -200063.11 320000.00 T= 3515.40 K 2026-05-20 19:23:37,334 INFO - step #280 R -769294.70 -886586.23 -202708.47 320000.00 T= 3309.53 K 2026-05-20 19:23:38,067 INFO - step #281 T -781152.72 -858964.36 -202188.36 280000.00 T= 3221.30 K 2026-05-20 19:23:38,916 INFO - step #282 R -791218.73 -865850.22 -205368.51 280000.00 T= 3118.36 K 2026-05-20 19:23:39,321 INFO - step #283 R -803461.84 -876364.55 -207097.29 280000.00 T= 3074.25 K 2026-05-20 19:23:39,489 INFO - step #284 R -820134.42 -893037.13 -207097.29 280000.00 T= 3059.54 K 2026-05-20 19:23:41,317 INFO - step #285 R -811401.05 -884946.75 -206454.31 280000.00 T= 2824.26 K 2026-05-20 19:23:42,138 INFO - step #286 R -814624.11 -884946.75 -209677.37 280000.00 T= 2721.33 K 2026-05-20 19:23:43,057 INFO - step #287 R -813221.26 -885062.77 -208158.49 280000.00 T= 2603.69 K 2026-05-20 19:23:47,172 INFO - step #288 R -801547.35 -876094.54 -205452.81 280000.00 T= 2059.60 K 2026-05-20 19:23:49,543 INFO - step #289 R -815589.19 -887351.34 -208237.85 280000.00 T= 1750.80 K 2026-05-20 19:23:52,743 INFO - step #290 R -789181.64 -865174.11 -204007.53 280000.00 T= 1339.06 K 2026-05-20 19:23:53,939 INFO - step #291 R -789177.94 -865170.41 -204007.53 280000.00 T= 1192.01 K 2026-05-20 19:23:54,235 INFO - step #292 R -809840.73 -883166.61 -206674.11 280000.00 T= 1162.60 K 2026-05-20 19:23:54,752 INFO - step #293 R -811216.08 -884363.20 -206852.89 280000.00 T= 1103.78 K 2026-05-20 19:23:55,931 INFO - step #294 R -802946.98 -877494.17 -205452.81 280000.00 T= 956.73 K 2026-05-20 19:23:56,219 INFO - step #295 R -792728.78 -867266.33 -205462.45 280000.00 T= 927.32 K 2026-05-20 19:23:58,585 INFO - step #296 T -843386.41 -878128.57 -205257.84 240000.00 T= 868.50 K 2026-05-20 19:24:02,269 INFO - step #297 R -841064.03 -875806.19 -205257.84 240000.00 T= 486.17 K 2026-05-20 19:24:04,961 INFO - save long traj 2026-05-20 19:24:05,033 INFO - save best.pdb 2026-05-20 19:24:05,065 INFO - save plot e_step.png 2026-05-20 19:24:05,527 INFO - done