2026-07-24 23:09:25,871 INFO - start - parameters: File name /home/rpdock/web/media/jobs/7b0a82ff-9a6b-468f-ac08-72c9319fcf62//ref_struc/prot-na_8425/prot-na_8425.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-07-24 23:09:27,120 INFO - step #1 R -81538.87 -56786.01 -24752.86 0.00 T= 15000.00 K 2026-07-24 23:09:27,726 INFO - step #2 R -85775.78 -53339.30 -32436.48 0.00 T= 14970.59 K 2026-07-24 23:09:28,054 INFO - step #3 T -86873.57 -46861.21 -40012.36 0.00 T= 14955.89 K 2026-07-24 23:09:28,408 INFO - step #4 R 19478.88 -54964.88 -25556.24 100000.00 T= 14941.18 K 2026-07-24 23:09:29,020 INFO - step #5 T 131928.52 -59437.70 -8633.79 200000.00 T= 14911.77 K 2026-07-24 23:09:29,356 INFO - step #6 R 18017.29 -57229.85 -24752.86 100000.00 T= 14897.07 K 2026-07-24 23:09:29,886 INFO - step #7 R -79632.41 -47195.93 -32436.48 0.00 T= 14867.66 K 2026-07-24 23:09:30,350 INFO - step #8 R 10926.80 -56636.71 -32436.48 100000.00 T= 14852.95 K 2026-07-24 23:09:30,688 INFO - step #9 T -92352.93 -59916.45 -32436.48 0.00 T= 14838.25 K 2026-07-24 23:09:31,409 INFO - 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step #67 R -34196.31 -26773.74 -7422.56 0.00 T= 13514.80 K 2026-07-24 23:10:01,039 INFO - step #68 T 70460.65 -22116.78 -7422.56 100000.00 T= 13485.39 K 2026-07-24 23:10:01,603 INFO - step #69 T 62506.28 -30071.16 -7422.56 100000.00 T= 13455.98 K 2026-07-24 23:10:01,949 INFO - step #70 T 79602.91 -12974.52 -7422.56 100000.00 T= 13441.27 K 2026-07-24 23:10:02,655 INFO - step #71 T 179602.91 -12974.52 -7422.56 200000.00 T= 13397.16 K 2026-07-24 23:10:02,991 INFO - step #72 T 68512.56 -24064.88 -7422.56 100000.00 T= 13382.45 K 2026-07-24 23:10:03,337 INFO - step #73 T 183816.03 -8761.40 -7422.56 200000.00 T= 13367.75 K 2026-07-24 23:10:03,678 INFO - step #74 R 70016.81 -22560.63 -7422.56 100000.00 T= 13353.04 K 2026-07-24 23:10:04,032 INFO - step #75 R 70016.81 -22560.63 -7422.56 100000.00 T= 13338.34 K 2026-07-24 23:10:04,546 INFO - step #76 T 172044.58 -27955.42 0.00 200000.00 T= 13308.93 K 2026-07-24 23:10:06,040 INFO - step #77 T 189734.34 -10265.66 0.00 200000.00 T= 13294.22 K 2026-07-24 23:10:06,383 INFO - 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step #89 T 59893.15 -32192.59 -7914.27 100000.00 T= 13088.35 K 2026-07-24 23:10:10,786 INFO - step #90 R 59893.15 -32192.59 -7914.27 100000.00 T= 13073.65 K 2026-07-24 23:10:11,124 INFO - step #91 T 452470.58 -32192.59 -15336.83 500000.00 T= 13058.94 K 2026-07-24 23:10:11,458 INFO - step #92 R 453698.58 -30964.59 -15336.83 500000.00 T= 13044.24 K 2026-07-24 23:10:11,793 INFO - step #93 T 269438.69 -22647.04 -7914.27 300000.00 T= 13029.53 K 2026-07-24 23:10:12,123 INFO - step #94 R 266396.83 -18266.34 -15336.83 300000.00 T= 13014.83 K 2026-07-24 23:10:12,481 INFO - step #95 T 173819.39 -18266.34 -7914.27 200000.00 T= 13000.12 K 2026-07-24 23:10:14,296 INFO - step #96 R 173819.39 -18266.34 -7914.27 200000.00 T= 12985.42 K 2026-07-24 23:10:14,674 INFO - step #97 T 73226.26 -18859.48 -7914.27 100000.00 T= 12970.71 K 2026-07-24 23:10:15,037 INFO - step #98 R 84760.51 -15239.49 0.00 100000.00 T= 12956.01 K 2026-07-24 23:10:15,380 INFO - step #99 R 79704.34 -12381.39 -7914.27 100000.00 T= 12941.30 K 2026-07-24 23:10:15,918 INFO - step #100 T 79704.34 -12381.39 -7914.27 100000.00 T= 12911.89 K 2026-07-24 23:10:16,438 INFO - step #101 T 73819.39 -18266.34 -7914.27 100000.00 T= 12882.48 K 2026-07-24 23:10:16,771 INFO - step #102 R -43594.12 -35679.85 -7914.27 0.00 T= 12867.78 K 2026-07-24 23:10:18,699 INFO - start - parameters: File name /home/rpdock/web/media/jobs/7b0a82ff-9a6b-468f-ac08-72c9319fcf62//ref_struc/prot-na_8425/prot-na_8425.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-07-24 23:10:20,165 INFO - step #1 R -65126.96 -56493.17 -8633.79 0.00 T= 14970.59 K 2026-07-24 23:10:20,561 INFO - step #2 T 44291.56 -47074.65 -8633.79 100000.00 T= 14955.89 K 2026-07-24 23:10:21,090 INFO - step #3 R 48315.22 -28594.87 -23089.90 100000.00 T= 14926.48 K 2026-07-24 23:10:21,424 INFO - step #4 T 48037.21 -37506.67 -14456.12 100000.00 T= 14911.77 K 2026-07-24 23:10:21,836 INFO - step #5 T 55720.82 -37506.67 -6772.50 100000.00 T= 14897.07 K 2026-07-24 23:10:22,167 INFO - step #6 R 60694.66 -32532.84 -6772.50 100000.00 T= 14882.36 K 2026-07-24 23:10:22,496 INFO - step #7 R 161899.67 -29466.55 -8633.79 200000.00 T= 14867.66 K 2026-07-24 23:10:22,953 INFO - step #8 R 166747.65 -24618.57 -8633.79 200000.00 T= 14852.95 K 2026-07-24 23:10:23,283 INFO - step #9 R 161899.67 -29466.55 -8633.79 200000.00 T= 14838.25 K 2026-07-24 23:10:23,612 INFO - step #10 R 263571.50 -27794.71 -8633.79 300000.00 T= 14823.54 K 2026-07-24 23:10:24,112 INFO - step #11 T 160269.56 -31096.66 -8633.79 200000.00 T= 14808.84 K 2026-07-24 23:10:24,443 INFO - step #12 R 59041.56 -32324.65 -8633.79 100000.00 T= 14794.13 K 2026-07-24 23:10:24,968 INFO - step #13 T 69774.49 -21591.72 -8633.79 100000.00 T= 14764.72 K 2026-07-24 23:10:25,520 INFO - step #14 T 155421.58 -35944.63 -8633.79 200000.00 T= 14750.02 K 2026-07-24 23:10:26,039 INFO - step #15 T 59634.70 -31731.52 -8633.79 100000.00 T= 14720.61 K 2026-07-24 23:10:26,556 INFO - step #16 R 176418.41 -23581.59 0.00 200000.00 T= 14691.20 K 2026-07-24 23:10:26,882 INFO - step #17 T 80038.39 -19961.61 0.00 100000.00 T= 14676.49 K 2026-07-24 23:10:27,214 INFO - 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step #29 T 70603.28 -20762.93 -8633.79 100000.00 T= 14470.62 K 2026-07-24 23:10:32,735 INFO - step #30 T 49029.24 -42336.97 -8633.79 100000.00 T= 14455.92 K 2026-07-24 23:10:33,072 INFO - step #31 R -23746.90 -23746.90 0.00 0.00 T= 14441.21 K 2026-07-24 23:10:33,417 INFO - step #32 R -43914.93 -35281.15 -8633.79 0.00 T= 14426.51 K 2026-07-24 23:10:33,756 INFO - step #33 R 65353.19 -26013.02 -8633.79 100000.00 T= 14411.80 K 2026-07-24 23:10:34,092 INFO - step #34 T -32380.68 -23746.90 -8633.79 0.00 T= 14397.10 K 2026-07-24 23:10:34,429 INFO - step #35 T -27241.02 -27241.02 0.00 0.00 T= 14382.39 K 2026-07-24 23:10:35,166 INFO - step #36 R -27241.02 -27241.02 0.00 0.00 T= 14338.28 K 2026-07-24 23:10:35,513 INFO - step #37 T -32214.86 -32214.86 0.00 0.00 T= 14323.57 K 2026-07-24 23:10:35,858 INFO - step #38 T -37654.82 -29021.03 -8633.79 0.00 T= 14308.87 K 2026-07-24 23:10:36,971 INFO - step #39 R -41274.80 -32641.02 -8633.79 0.00 T= 14279.46 K 2026-07-24 23:10:37,308 INFO - step #40 R -37654.82 -29021.03 -8633.79 0.00 T= 14264.75 K 2026-07-24 23:10:37,645 INFO - step #41 T 67785.14 -32214.86 0.00 100000.00 T= 14250.05 K 2026-07-24 23:10:37,981 INFO - step #42 T -41274.80 -32641.02 -8633.79 0.00 T= 14235.34 K 2026-07-24 23:10:38,319 INFO - step #43 R -41274.80 -32641.02 -8633.79 0.00 T= 14220.64 K 2026-07-24 23:10:38,844 INFO - step #44 R 47023.36 -44342.85 -8633.79 100000.00 T= 14191.23 K 2026-07-24 23:10:39,173 INFO - step #45 R -44894.78 -36261.00 -8633.79 0.00 T= 14176.52 K 2026-07-24 23:10:39,704 INFO - step #46 R -62752.14 -54118.35 -8633.79 0.00 T= 14147.11 K 2026-07-24 23:10:40,042 INFO - step #47 R -46859.45 -38225.67 -8633.79 0.00 T= 14132.41 K 2026-07-24 23:10:40,570 INFO - step #48 R -68026.28 -59392.49 -8633.79 0.00 T= 14103.00 K 2026-07-24 23:10:41,641 INFO - step #49 T -45655.50 -37021.72 -8633.79 0.00 T= 14088.29 K 2026-07-24 23:10:42,180 INFO - step #50 R -45655.50 -37021.72 -8633.79 0.00 T= 14058.88 K 2026-07-24 23:10:42,706 INFO - step #51 R 62258.76 -29107.45 -8633.79 100000.00 T= 14029.47 K 2026-07-24 23:10:43,232 INFO - step #52 R 63019.48 -28346.73 -8633.79 100000.00 T= 14000.06 K 2026-07-24 23:10:43,565 INFO - step #53 T 63319.78 -28046.43 -8633.79 100000.00 T= 13985.36 K 2026-07-24 23:10:43,902 INFO - step #54 R 57117.95 -34248.26 -8633.79 100000.00 T= 13970.65 K 2026-07-24 23:10:44,240 INFO - step #55 T 66622.89 -24743.33 -8633.79 100000.00 T= 13955.95 K 2026-07-24 23:10:44,573 INFO - step #56 T -34404.44 -34404.44 0.00 0.00 T= 13941.24 K 2026-07-24 23:10:45,108 INFO - step #57 T -40613.13 -40613.13 0.00 0.00 T= 13911.83 K 2026-07-24 23:10:45,457 INFO - step #58 R -45172.61 -29574.73 -15597.89 0.00 T= 13897.13 K 2026-07-24 23:10:45,791 INFO - step #59 T -62148.58 -46550.70 -15597.89 0.00 T= 13882.42 K 2026-07-24 23:10:46,146 INFO - step #60 R 68608.93 -23707.45 -7683.62 100000.00 T= 13867.72 K 2026-07-24 23:10:47,430 INFO - step #61 T -61658.43 -46060.54 -15597.89 0.00 T= 13853.01 K 2026-07-24 23:10:47,765 INFO - step #62 T -52326.77 -36728.88 -15597.89 0.00 T= 13838.31 K 2026-07-24 23:10:48,102 INFO - step #63 T -42671.93 -27074.04 -15597.89 0.00 T= 13823.60 K 2026-07-24 23:10:48,442 INFO - step #64 R -56217.32 -40619.43 -15597.89 0.00 T= 13808.90 K 2026-07-24 23:10:48,788 INFO - step #65 T -47052.63 -31454.75 -15597.89 0.00 T= 13794.19 K 2026-07-24 23:10:49,123 INFO - step #66 R -50943.18 -35345.29 -15597.89 0.00 T= 13779.49 K 2026-07-24 23:10:49,645 INFO - step #67 T -41167.68 -25569.79 -15597.89 0.00 T= 13750.08 K 2026-07-24 23:10:50,383 INFO - step #68 R -41167.68 -25569.79 -15597.89 0.00 T= 13705.96 K 2026-07-24 23:10:51,298 INFO - step #69 T -45058.23 -29460.34 -15597.89 0.00 T= 13647.14 K 2026-07-24 23:10:52,007 INFO - step #70 T -33777.81 -18179.92 -15597.89 0.00 T= 13603.03 K 2026-07-24 23:10:52,341 INFO - step #71 T 79935.00 -12381.39 -7683.62 100000.00 T= 13588.32 K 2026-07-24 23:10:52,701 INFO - step #72 R -41167.68 -25569.79 -15597.89 0.00 T= 13573.62 K 2026-07-24 23:10:53,226 INFO - step #73 R 87618.61 -12381.39 0.00 100000.00 T= 13544.21 K 2026-07-24 23:10:53,588 INFO - step #74 T 81733.66 -18266.34 0.00 100000.00 T= 13529.50 K 2026-07-24 23:10:53,946 INFO - step #75 T 77352.96 -22647.04 0.00 100000.00 T= 13514.80 K 2026-07-24 23:10:54,333 INFO - step #76 T 55656.68 -36659.71 -7683.62 100000.00 T= 13500.09 K 2026-07-24 23:10:55,869 INFO - step #77 R -48378.10 -48378.10 0.00 0.00 T= 13485.39 K 2026-07-24 23:10:56,200 INFO - step #78 T -4380.70 -4380.70 0.00 0.00 T= 13470.68 K 2026-07-24 23:10:56,529 INFO - step #79 R -4380.70 -4380.70 0.00 0.00 T= 13455.98 K 2026-07-24 23:10:56,861 INFO - step #80 T 0.00 0.00 0.00 0.00 T= 13441.27 K 2026-07-24 23:10:57,194 INFO - step #81 T -10732.93 -10732.93 0.00 0.00 T= 13426.57 K 2026-07-24 23:10:57,524 INFO - step #82 T -5884.95 -5884.95 0.00 0.00 T= 13411.86 K 2026-07-24 23:10:57,871 INFO - step #83 R 0.00 0.00 0.00 0.00 T= 13397.16 K 2026-07-24 23:10:58,201 INFO - step #84 T -10732.93 -10732.93 0.00 0.00 T= 13382.45 K 2026-07-24 23:10:58,531 INFO - step #85 R -10732.93 -10732.93 0.00 0.00 T= 13367.75 K 2026-07-24 23:10:58,863 INFO - step #86 T -14202.52 -14202.52 0.00 0.00 T= 13353.04 K 2026-07-24 23:10:59,393 INFO - step #87 R -9354.54 -9354.54 0.00 0.00 T= 13323.63 K 2026-07-24 23:10:59,723 INFO - step #88 T -15113.63 -15113.63 0.00 0.00 T= 13308.93 K 2026-07-24 23:11:00,057 INFO - step #89 T -20087.47 -20087.47 0.00 0.00 T= 13294.22 K 2026-07-24 23:11:00,388 INFO - step #90 R -15239.49 -15239.49 0.00 0.00 T= 13279.52 K 2026-07-24 23:11:00,721 INFO - step #91 R -15239.49 -15239.49 0.00 0.00 T= 13264.81 K 2026-07-24 23:11:01,055 INFO - step #92 T -15113.63 -15113.63 0.00 0.00 T= 13250.11 K 2026-07-24 23:11:01,388 INFO - step #93 T -15239.49 -15239.49 0.00 0.00 T= 13235.40 K 2026-07-24 23:11:01,720 INFO - step #94 T -8593.82 -8593.82 0.00 0.00 T= 13220.70 K 2026-07-24 23:11:02,072 INFO - step #95 T -14478.77 -14478.77 0.00 0.00 T= 13205.99 K 2026-07-24 23:11:03,876 INFO - step #96 T -4380.70 -4380.70 0.00 0.00 T= 13191.29 K 2026-07-24 23:11:04,210 INFO - step #97 R -4380.70 -4380.70 0.00 0.00 T= 13176.58 K 2026-07-24 23:11:04,544 INFO - step #98 R -8593.82 -8593.82 0.00 0.00 T= 13161.88 K 2026-07-24 23:11:04,880 INFO - step #99 R -8593.82 -8593.82 0.00 0.00 T= 13147.17 K 2026-07-24 23:11:05,216 INFO - step #100 R -4380.70 -4380.70 0.00 0.00 T= 13132.47 K 2026-07-24 23:11:05,549 INFO - step #101 T -4380.70 -4380.70 0.00 0.00 T= 13117.76 K 2026-07-24 23:11:05,892 INFO - step #102 R -4380.70 -4380.70 0.00 0.00 T= 13103.06 K