2026-07-06 05:33:05,202 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/85454ebf-9150-4ed5-96f9-8c0a422793d2//ref_struc/prot-na_5796/prot-na_5796.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2026-07-06 05:33:06,249 INFO - step #1 R 269838.78 -598684.15 -171477.07 1040000.00 T= 14950.15 K
2026-07-06 05:33:06,773 INFO - step #2 T 379619.27 -616557.35 -163823.38 1160000.00 T= 14750.76 K
2026-07-06 05:33:06,953 INFO - step #3 R -56979.14 -675729.44 -181249.70 800000.00 T= 14700.92 K
2026-07-06 05:33:07,483 INFO - step #4 R -45347.84 -663320.28 -182027.56 800000.00 T= 14501.53 K
2026-07-06 05:33:07,782 INFO - step #5 R -49036.11 -667008.55 -182027.56 800000.00 T= 14401.83 K
2026-07-06 05:33:08,257 INFO - step #6 T -55835.02 -710629.46 -225205.55 880000.00 T= 14252.29 K
2026-07-06 05:33:08,553 INFO - step #7 R -20476.29 -681437.12 -219039.17 880000.00 T= 14152.59 K
2026-07-06 05:33:09,076 INFO - step #8 R -35978.45 -694081.98 -221896.47 880000.00 T= 13953.20 K
2026-07-06 05:33:09,838 INFO - step #9 R -190247.33 -687941.95 -222305.38 720000.00 T= 13654.12 K
2026-07-06 05:33:10,477 INFO - step #10 R -194558.35 -692046.55 -222511.80 720000.00 T= 13404.88 K
2026-07-06 05:33:11,111 INFO - step #11 R -182293.83 -681108.20 -221185.63 720000.00 T= 13155.64 K
2026-07-06 05:33:12,519 INFO - step #12 R -193949.38 -695219.75 -218729.64 720000.00 T= 12607.32 K
2026-07-06 05:33:12,702 INFO - step #13 R -185554.34 -686824.70 -218729.64 720000.00 T= 12557.47 K
2026-07-06 05:33:14,058 INFO - step #14 R -184512.42 -682084.72 -222427.69 720000.00 T= 12009.15 K
2026-07-06 05:33:16,174 INFO - step #15 R -191726.47 -689214.68 -222511.80 720000.00 T= 11161.75 K
2026-07-06 05:33:17,329 INFO - step #16 R 71307.43 -705318.50 -223374.06 1000000.00 T= 10762.97 K
2026-07-06 05:33:17,515 INFO - step #17 T 18061.13 -614514.55 -167424.32 800000.00 T= 10713.12 K
2026-07-06 05:33:17,702 INFO - step #18 T -21577.42 -650332.54 -211244.89 840000.00 T= 10663.27 K
2026-07-06 05:33:17,888 INFO - step #19 R -21188.58 -649975.56 -211213.03 840000.00 T= 10613.42 K
2026-07-06 05:33:18,098 INFO - step #20 T 89795.16 -629153.79 -201051.05 920000.00 T= 10563.58 K
2026-07-06 05:33:18,292 INFO - step #21 T 47806.30 -679620.13 -192573.57 920000.00 T= 10513.73 K
2026-07-06 05:33:18,480 INFO - step #22 R 107844.41 -705971.54 -186184.04 1000000.00 T= 10463.88 K
2026-07-06 05:33:19,205 INFO - step #23 R 129828.20 -659390.03 -170781.78 960000.00 T= 10264.49 K
2026-07-06 05:33:19,392 INFO - step #24 T -179290.24 -621348.65 -197941.58 640000.00 T= 10214.64 K
2026-07-06 05:33:19,923 INFO - step #25 R -186621.21 -616164.93 -170456.28 600000.00 T= 10015.25 K
2026-07-06 05:33:20,112 INFO - step #26 R -344810.23 -748235.20 -236575.03 640000.00 T= 9965.41 K
2026-07-06 05:33:20,301 INFO - step #27 T -530976.70 -752835.34 -258141.35 480000.00 T= 9915.56 K
2026-07-06 05:33:21,797 INFO - step #28 R -582849.90 -767609.60 -255240.29 440000.00 T= 9317.39 K
2026-07-06 05:33:21,999 INFO - step #29 T -547992.25 -743982.30 -244009.95 440000.00 T= 9267.54 K
2026-07-06 05:33:22,893 INFO - step #30 R -511477.29 -717018.76 -234458.53 440000.00 T= 9018.31 K
2026-07-06 05:33:23,075 INFO - step #31 R -490460.20 -699753.93 -230706.27 440000.00 T= 8968.46 K
2026-07-06 05:33:23,257 INFO - step #32 R -456575.27 -706446.70 -230128.58 480000.00 T= 8918.61 K
2026-07-06 05:33:24,020 INFO - step #33 T -477119.65 -594218.48 -202901.17 320000.00 T= 8619.53 K
2026-07-06 05:33:24,199 INFO - step #34 R -486931.33 -562259.59 -204671.74 280000.00 T= 8569.68 K
2026-07-06 05:33:24,380 INFO - step #35 T -517615.68 -689856.45 -227759.23 400000.00 T= 8519.83 K
2026-07-06 05:33:24,698 INFO - step #36 R -572394.49 -606777.67 -205616.82 240000.00 T= 8420.14 K
2026-07-06 05:33:25,114 INFO - step #37 R -514998.10 -681878.81 -233119.29 400000.00 T= 8270.59 K
2026-07-06 05:33:25,566 INFO - step #38 R -515371.80 -683537.57 -231834.23 400000.00 T= 8220.75 K
2026-07-06 05:33:26,325 INFO - step #39 R -448739.30 -658198.53 -230540.77 440000.00 T= 7921.66 K
2026-07-06 05:33:26,641 INFO - step #40 R -519790.87 -687956.64 -231834.23 400000.00 T= 7821.97 K
2026-07-06 05:33:27,504 INFO - step #41 T -455025.85 -539464.20 -195561.65 280000.00 T= 7473.03 K
2026-07-06 05:33:28,025 INFO - step #42 T -482402.90 -554902.91 -207499.99 280000.00 T= 7273.64 K
2026-07-06 05:33:28,319 INFO - step #43 R -548648.35 -605603.46 -223044.88 280000.00 T= 7173.95 K
2026-07-06 05:33:29,683 INFO - step #44 R -512773.11 -609914.81 -222858.30 320000.00 T= 6625.63 K
2026-07-06 05:33:30,905 INFO - step #45 T -529372.06 -626671.43 -222700.63 320000.00 T= 6127.15 K
2026-07-06 05:33:32,116 INFO - step #46 R -316481.33 -694599.81 -221881.52 600000.00 T= 5628.68 K
2026-07-06 05:33:32,736 INFO - step #47 T -452712.66 -637578.21 -215134.45 400000.00 T= 5528.98 K
2026-07-06 05:33:33,616 INFO - step #48 T -439062.64 -489771.44 -189291.20 240000.00 T= 5180.05 K
2026-07-06 05:33:34,139 INFO - step #49 R -416854.65 -601675.03 -215179.61 400000.00 T= 4980.66 K
2026-07-06 05:33:34,555 INFO - step #50 R -255900.11 -471033.92 -184866.19 400000.00 T= 4831.12 K
2026-07-06 05:33:34,739 INFO - step #51 T -268030.78 -573274.22 -214756.56 520000.00 T= 4781.27 K
2026-07-06 05:33:34,923 INFO - step #52 T -376725.12 -582975.81 -193749.31 400000.00 T= 4731.42 K
2026-07-06 05:33:35,330 INFO - step #53 R -527202.73 -571342.95 -195859.78 240000.00 T= 4581.88 K
2026-07-06 05:33:35,621 INFO - step #54 R -526563.71 -573675.80 -192887.91 240000.00 T= 4482.19 K
2026-07-06 05:33:35,806 INFO - step #55 T -507843.15 -603289.28 -184553.87 280000.00 T= 4432.34 K
2026-07-06 05:33:36,704 INFO - step #56 R -504199.04 -600115.95 -184083.08 280000.00 T= 4083.41 K
2026-07-06 05:33:37,013 INFO - step #57 R -504199.04 -600115.95 -184083.08 280000.00 T= 3983.71 K
2026-07-06 05:33:38,814 INFO - step #58 R -532377.48 -624591.85 -187785.63 280000.00 T= 3236.00 K
2026-07-06 05:33:39,511 INFO - step #59 R -506542.15 -600467.93 -186074.22 280000.00 T= 3136.31 K
2026-07-06 05:33:39,700 INFO - step #60 R -516992.61 -607367.62 -189624.99 280000.00 T= 3086.46 K
2026-07-06 05:33:40,583 INFO - step #61 R -543656.45 -658784.19 -204872.26 320000.00 T= 2737.53 K
2026-07-06 05:33:43,391 INFO - step #62 R -534594.11 -648100.83 -206493.28 320000.00 T= 1591.03 K
2026-07-06 05:33:44,990 INFO - step #63 R -535088.57 -650269.12 -204819.45 320000.00 T= 943.02 K
2026-07-06 05:33:47,335 INFO - save short traj
2026-07-06 05:33:47,425 INFO - save best.pdb
2026-07-06 05:33:47,479 INFO - save plot e_step.png
2026-07-06 05:33:47,971 INFO - done
2026-07-06 05:33:48,705 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/85454ebf-9150-4ed5-96f9-8c0a422793d2//ref_struc/prot-na_5796/prot-na_5796.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2026-07-06 05:33:49,485 INFO - step #1 R -94690.47 -671193.28 -183497.19 760000.00 T= 15000.00 K
2026-07-06 05:33:49,889 INFO - step #2 T -115344.99 -648037.61 -187307.38 720000.00 T= 14850.46 K
2026-07-06 05:33:50,184 INFO - step #3 R -81522.04 -701092.84 -180429.20 800000.00 T= 14750.76 K
2026-07-06 05:33:50,366 INFO - step #4 R -182148.50 -741411.79 -200736.71 760000.00 T= 14700.92 K
2026-07-06 05:33:50,547 INFO - step #5 T -423665.09 -788255.99 -195409.09 560000.00 T= 14651.07 K
2026-07-06 05:33:50,790 INFO - step #6 R -587852.17 -749400.56 -198451.61 360000.00 T= 14601.22 K
2026-07-06 05:33:51,085 INFO - step #7 T -254654.29 -743600.90 -191053.39 680000.00 T= 14501.53 K
2026-07-06 05:33:51,263 INFO - step #8 T -314668.83 -773897.02 -180771.81 640000.00 T= 14451.68 K
2026-07-06 05:33:51,447 INFO - step #9 R -311992.36 -772293.78 -179698.57 640000.00 T= 14401.83 K
2026-07-06 05:33:51,630 INFO - step #10 T -277323.25 -758370.61 -198952.64 680000.00 T= 14351.98 K
2026-07-06 05:33:51,817 INFO - step #11 R -311598.20 -787373.92 -204224.27 680000.00 T= 14302.14 K
2026-07-06 05:33:52,123 INFO - step #12 R -340610.29 -779452.78 -201157.51 640000.00 T= 14202.44 K
2026-07-06 05:33:52,518 INFO - step #13 T -325306.71 -640349.95 -164956.76 480000.00 T= 14102.75 K
2026-07-06 05:33:52,700 INFO - step #14 T -380933.64 -693349.32 -167584.31 480000.00 T= 14052.90 K
2026-07-06 05:33:52,887 INFO - step #15 R -267840.90 -712457.28 -195383.62 640000.00 T= 14003.05 K
2026-07-06 05:33:53,188 INFO - step #16 R -268126.81 -736999.13 -211127.67 680000.00 T= 13903.36 K
2026-07-06 05:33:53,375 INFO - step #17 R -226619.76 -812378.38 -214241.38 800000.00 T= 13853.51 K
2026-07-06 05:33:53,685 INFO - step #18 T -213199.97 -853344.19 -239855.78 880000.00 T= 13753.81 K
2026-07-06 05:33:54,138 INFO - step #19 R -453109.10 -890620.29 -242488.81 680000.00 T= 13654.12 K
2026-07-06 05:33:54,457 INFO - step #20 T -430402.81 -803619.52 -226783.28 600000.00 T= 13554.42 K
2026-07-06 05:33:54,764 INFO - step #21 R -168049.85 -740482.76 -187567.09 760000.00 T= 13454.73 K
2026-07-06 05:33:54,953 INFO - step #22 R -162985.93 -774938.05 -228047.88 840000.00 T= 13404.88 K
2026-07-06 05:33:55,139 INFO - step #23 R -258869.25 -832758.56 -226110.69 800000.00 T= 13355.03 K
2026-07-06 05:33:55,816 INFO - step #24 R -246075.93 -823150.52 -222925.41 800000.00 T= 13105.80 K
2026-07-06 05:33:56,250 INFO - step #25 T -313834.32 -810543.25 -223291.07 720000.00 T= 12956.25 K
2026-07-06 05:33:56,618 INFO - step #26 T -247539.31 -752646.64 -214892.67 720000.00 T= 12906.41 K
2026-07-06 05:33:56,927 INFO - step #27 R -384403.06 -761766.64 -222636.42 600000.00 T= 12806.71 K
2026-07-06 05:33:57,120 INFO - step #28 T -335526.24 -783978.36 -231547.88 680000.00 T= 12756.86 K
2026-07-06 05:33:57,309 INFO - step #29 R -317343.91 -746298.19 -211045.71 640000.00 T= 12707.02 K
2026-07-06 05:33:57,494 INFO - step #30 R -312545.86 -741498.61 -211047.25 640000.00 T= 12657.17 K
2026-07-06 05:33:57,682 INFO - step #31 R -336047.37 -779694.76 -236352.60 680000.00 T= 12607.32 K
2026-07-06 05:33:57,873 INFO - step #32 T -356116.50 -773431.27 -222685.23 640000.00 T= 12557.47 K
2026-07-06 05:33:58,409 INFO - step #33 T -278168.39 -743231.48 -214936.91 680000.00 T= 12457.78 K
2026-07-06 05:33:58,595 INFO - step #34 R -182076.78 -710349.17 -191727.62 720000.00 T= 12407.93 K
2026-07-06 05:33:58,788 INFO - step #35 R -175748.22 -707972.36 -187775.86 720000.00 T= 12358.08 K
2026-07-06 05:33:58,971 INFO - step #36 R -227620.48 -718940.75 -188679.73 680000.00 T= 12308.24 K
2026-07-06 05:33:59,271 INFO - step #37 R 115041.09 -765703.32 -199255.59 1080000.00 T= 12208.54 K
2026-07-06 05:33:59,462 INFO - step #38 T -17982.09 -802328.80 -215653.29 1000000.00 T= 12158.69 K
2026-07-06 05:33:59,656 INFO - step #39 T -177658.88 -851980.36 -245678.52 920000.00 T= 12108.85 K
2026-07-06 05:33:59,846 INFO - step #40 R -159839.71 -863182.01 -256657.70 960000.00 T= 12059.00 K
2026-07-06 05:34:00,153 INFO - step #41 R -155859.24 -859201.55 -256657.70 960000.00 T= 11959.31 K
2026-07-06 05:34:00,872 INFO - step #42 R -161712.25 -865054.56 -256657.70 960000.00 T= 11809.76 K
2026-07-06 05:34:01,066 INFO - step #43 R -81760.32 -860001.11 -261759.21 1040000.00 T= 11759.92 K
2026-07-06 05:34:01,367 INFO - step #44 T -110490.32 -844272.28 -226218.04 960000.00 T= 11660.22 K
2026-07-06 05:34:01,679 INFO - step #45 R -62507.28 -836175.20 -226332.08 1000000.00 T= 11560.53 K
2026-07-06 05:34:01,872 INFO - step #46 R 72954.21 -761417.12 -205628.67 1040000.00 T= 11510.68 K
2026-07-06 05:34:02,069 INFO - step #47 T -313107.08 -855653.77 -257453.31 800000.00 T= 11460.83 K
2026-07-06 05:34:02,395 INFO - step #48 T -196117.33 -781203.15 -214914.18 800000.00 T= 11361.14 K
2026-07-06 05:34:02,714 INFO - step #49 T -375589.60 -796465.77 -219123.83 640000.00 T= 11261.44 K
2026-07-06 05:34:03,142 INFO - step #50 R -352601.59 -784493.74 -208107.85 640000.00 T= 11111.90 K
2026-07-06 05:34:03,580 INFO - step #51 T -394321.31 -810994.14 -223327.16 640000.00 T= 10962.36 K
2026-07-06 05:34:04,882 INFO - step #52 T -528886.84 -799891.14 -208995.69 480000.00 T= 10463.88 K
2026-07-06 05:34:05,430 INFO - step #53 R -523511.40 -794515.70 -208995.69 480000.00 T= 10414.03 K
2026-07-06 05:34:05,618 INFO - step #54 R -187577.57 -783816.92 -203760.65 800000.00 T= 10364.19 K
2026-07-06 05:34:05,809 INFO - step #55 R -299604.24 -848723.31 -250880.93 800000.00 T= 10314.34 K
2026-07-06 05:34:05,998 INFO - step #56 T -219007.06 -805492.33 -213514.73 800000.00 T= 10264.49 K
2026-07-06 05:34:06,194 INFO - step #57 R -344277.40 -791974.28 -232303.12 680000.00 T= 10214.64 K
2026-07-06 05:34:06,624 INFO - step #58 R -386064.75 -700786.51 -205278.23 520000.00 T= 10065.10 K
2026-07-06 05:34:06,810 INFO - step #59 R -501557.21 -671532.78 -190024.43 360000.00 T= 10015.25 K
2026-07-06 05:34:06,997 INFO - step #60 R -406893.04 -697790.28 -189102.77 480000.00 T= 9965.41 K
2026-07-06 05:34:07,303 INFO - step #61 T -338689.38 -680385.00 -178304.38 520000.00 T= 9865.71 K
2026-07-06 05:34:07,491 INFO - step #62 T -443360.43 -694595.58 -188764.85 440000.00 T= 9815.86 K
2026-07-06 05:34:07,673 INFO - step #63 R -513048.21 -711573.15 -201475.06 400000.00 T= 9766.02 K
2026-07-06 05:34:07,880 INFO - step #64 R -547043.90 -711740.07 -195303.83 360000.00 T= 9716.17 K
2026-07-06 05:34:09,112 INFO - step #65 R -428712.80 -764485.53 -184227.27 520000.00 T= 9217.69 K
2026-07-06 05:34:09,408 INFO - step #66 R -418356.83 -755598.56 -182758.27 520000.00 T= 9118.00 K
2026-07-06 05:34:10,035 INFO - step #67 T -435553.86 -725231.06 -190322.79 480000.00 T= 9068.15 K
2026-07-06 05:34:10,919 INFO - step #68 R -459711.57 -718321.86 -181389.70 440000.00 T= 8719.22 K
2026-07-06 05:34:11,342 INFO - step #69 R -434737.30 -716345.41 -158391.89 440000.00 T= 8569.68 K
2026-07-06 05:34:11,658 INFO - step #70 R -438472.57 -720080.67 -158391.89 440000.00 T= 8469.98 K
2026-07-06 05:34:12,667 INFO - step #71 R -617653.21 -757385.50 -180267.71 320000.00 T= 8071.20 K
2026-07-06 05:34:12,956 INFO - step #72 R -288614.60 -707621.18 -180993.42 600000.00 T= 7971.51 K
2026-07-06 05:34:13,484 INFO - step #73 R -328663.89 -712171.51 -176492.38 560000.00 T= 7772.12 K
2026-07-06 05:34:13,779 INFO - step #74 T -383033.49 -722447.17 -180586.32 520000.00 T= 7672.42 K
2026-07-06 05:34:13,964 INFO - step #75 T -474226.18 -739658.71 -174567.47 440000.00 T= 7622.58 K
2026-07-06 05:34:14,151 INFO - step #76 R -576880.19 -757589.43 -179290.76 360000.00 T= 7572.73 K
2026-07-06 05:34:14,912 INFO - step #77 T -540597.08 -758740.62 -181856.46 400000.00 T= 7273.64 K
2026-07-06 05:34:15,219 INFO - step #78 R -459998.25 -730037.72 -169960.53 440000.00 T= 7173.95 K
2026-07-06 05:34:15,525 INFO - step #79 R -564100.56 -700531.14 -183569.42 320000.00 T= 7074.25 K
2026-07-06 05:34:16,277 INFO - step #80 T -705529.78 -677707.75 -187822.03 160000.00 T= 6775.17 K
2026-07-06 05:34:16,748 INFO - step #81 R -702041.43 -676809.14 -185232.29 160000.00 T= 6625.63 K
2026-07-06 05:34:17,619 INFO - step #82 R -678165.73 -692353.68 -185812.05 200000.00 T= 6276.69 K
2026-07-06 05:34:18,038 INFO - step #83 R -691050.90 -666925.50 -184125.41 160000.00 T= 6127.15 K
2026-07-06 05:34:19,656 INFO - step #84 T -686852.55 -659605.89 -187246.66 160000.00 T= 5728.37 K
2026-07-06 05:34:20,672 INFO - step #85 R -667452.03 -646595.05 -180856.98 160000.00 T= 5379.44 K
2026-07-06 05:34:20,900 INFO - step #86 R -696636.97 -668530.57 -188106.40 160000.00 T= 5329.59 K
2026-07-06 05:34:21,638 INFO - step #87 R -697308.31 -669201.91 -188106.40 160000.00 T= 5030.51 K
2026-07-06 05:34:22,436 INFO - step #88 R -714533.03 -682374.91 -192158.13 160000.00 T= 4731.42 K
2026-07-06 05:34:22,615 INFO - step #89 R -651515.88 -660545.23 -190970.66 200000.00 T= 4681.58 K
2026-07-06 05:34:23,371 INFO - step #90 R -648484.10 -660421.54 -188062.55 200000.00 T= 4382.49 K
2026-07-06 05:34:23,791 INFO - step #91 T -590289.17 -617725.64 -172563.53 200000.00 T= 4232.95 K
2026-07-06 05:34:24,114 INFO - step #92 R -631313.94 -653708.76 -177605.18 200000.00 T= 4133.25 K
2026-07-06 05:34:24,758 INFO - step #93 R -584885.99 -724016.37 -180869.62 320000.00 T= 3884.02 K
2026-07-06 05:34:24,939 INFO - step #94 T -692259.19 -672138.26 -180120.93 160000.00 T= 3834.17 K
2026-07-06 05:34:25,454 INFO - step #95 T -677166.06 -667651.56 -169514.51 160000.00 T= 3634.78 K
2026-07-06 05:34:25,857 INFO - step #96 R -580379.87 -617123.73 -163256.14 200000.00 T= 3485.24 K
2026-07-06 05:34:26,037 INFO - step #97 T -752465.46 -723908.70 -188556.76 160000.00 T= 3435.39 K
2026-07-06 05:34:27,142 INFO - step #98 T -768251.72 -731428.69 -196823.03 160000.00 T= 2986.76 K
2026-07-06 05:34:27,790 INFO - step #99 R -755837.69 -718363.94 -197473.75 160000.00 T= 2737.53 K
2026-07-06 05:34:28,552 INFO - step #100 R -764286.70 -726350.28 -197936.42 160000.00 T= 2438.44 K
2026-07-06 05:34:28,964 INFO - step #101 R -762752.55 -724816.13 -197936.42 160000.00 T= 2288.90 K
2026-07-06 05:34:32,024 INFO - step #102 R -775251.52 -737340.80 -197910.72 160000.00 T= 992.86 K
2026-07-06 05:34:35,674 INFO - save short traj
2026-07-06 05:34:35,761 INFO - save best.pdb
2026-07-06 05:34:35,784 INFO - save plot e_step.png
2026-07-06 05:34:36,254 INFO - done