2026-07-24 23:11:07,855 INFO - start - parameters: File name /home/rpdock/web/media/jobs/7b0a82ff-9a6b-468f-ac08-72c9319fcf62//ref_struc/prot-na_7576/prot-na_7576.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-07-24 23:11:08,950 INFO - step #1 T 27683.22 -34717.30 -37599.47 100000.00 T= 15000.00 K 2026-07-24 23:11:09,345 INFO - step #2 T -57837.12 -21610.07 -36227.05 0.00 T= 14985.30 K 2026-07-24 23:11:09,675 INFO - step #3 T -59416.42 -30504.19 -28912.23 0.00 T= 14970.59 K 2026-07-24 23:11:10,394 INFO - step #4 T -76235.99 -32325.32 -43910.67 0.00 T= 14926.48 K 2026-07-24 23:11:10,805 INFO - step #5 R -76235.99 -32325.32 -43910.67 0.00 T= 14911.77 K 2026-07-24 23:11:11,135 INFO - step #6 R -53743.77 -23689.77 -30054.00 0.00 T= 14897.07 K 2026-07-24 23:11:11,488 INFO - step #7 R -63204.73 -26716.62 -36488.11 0.00 T= 14882.36 K 2026-07-24 23:11:11,969 INFO - step #8 R -50440.86 -28070.47 -22370.39 0.00 T= 14867.66 K 2026-07-24 23:11:12,322 INFO - step #9 R -35344.91 -12974.52 -22370.39 0.00 T= 14852.95 K 2026-07-24 23:11:12,670 INFO - 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step #5 T 25003.18 -29713.73 -45283.09 100000.00 T= 14941.18 K 2026-07-24 23:12:01,675 INFO - step #6 R 26817.04 -35322.43 -37860.53 100000.00 T= 14926.48 K 2026-07-24 23:12:02,008 INFO - step #7 R 35088.29 -27051.18 -37860.53 100000.00 T= 14911.77 K 2026-07-24 23:12:02,484 INFO - step #8 T -61608.79 -31431.88 -30176.91 0.00 T= 14897.07 K 2026-07-24 23:12:03,203 INFO - step #9 T 33719.24 -27770.17 -38510.59 100000.00 T= 14852.95 K 2026-07-24 23:12:03,527 INFO - step #10 R 54501.20 -23389.47 -22109.33 100000.00 T= 14838.25 K 2026-07-24 23:12:04,022 INFO - step #11 R 54501.20 -23389.47 -22109.33 100000.00 T= 14823.54 K 2026-07-24 23:12:04,378 INFO - step #12 R 56979.41 -19769.49 -23251.10 100000.00 T= 14808.84 K 2026-07-24 23:12:04,710 INFO - step #13 T 32933.34 -35747.98 -31318.68 100000.00 T= 14794.13 K 2026-07-24 23:12:05,456 INFO - step #14 T 33693.45 -34987.87 -31318.68 100000.00 T= 14764.72 K 2026-07-24 23:12:05,787 INFO - step #15 R 38725.77 -31097.32 -30176.91 100000.00 T= 14750.02 K 2026-07-24 23:12:06,115 INFO - 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step #38 T -59945.56 -31033.33 -28912.23 0.00 T= 14250.05 K 2026-07-24 23:12:17,802 INFO - step #39 R 40101.29 -23563.91 -36334.80 100000.00 T= 14220.64 K 2026-07-24 23:12:18,135 INFO - step #40 R -54971.73 -26059.49 -28912.23 0.00 T= 14205.93 K 2026-07-24 23:12:18,666 INFO - step #41 R -55564.86 -26652.63 -28912.23 0.00 T= 14176.52 K 2026-07-24 23:12:19,029 INFO - step #42 R 31402.33 -39685.43 -28912.23 100000.00 T= 14161.82 K 2026-07-24 23:12:19,385 INFO - step #43 R 38826.44 -32261.32 -28912.23 100000.00 T= 14147.11 K 2026-07-24 23:12:19,725 INFO - step #44 R 40054.44 -31033.33 -28912.23 100000.00 T= 14132.41 K 2026-07-24 23:12:20,067 INFO - step #45 R -59859.15 -30946.91 -28912.23 0.00 T= 14117.70 K 2026-07-24 23:12:20,407 INFO - step #46 T -58204.99 -29292.76 -28912.23 0.00 T= 14103.00 K 2026-07-24 23:12:21,464 INFO - step #47 R -57673.37 -29022.19 -28651.18 0.00 T= 14088.29 K 2026-07-24 23:12:21,806 INFO - step #48 R -53327.08 -24675.90 -28651.18 0.00 T= 14073.59 K 2026-07-24 23:12:22,147 INFO - step #49 R -63479.13 -34566.89 -28912.23 0.00 T= 14058.88 K 2026-07-24 23:12:22,489 INFO - step #50 T 29039.83 -33483.60 -37476.57 100000.00 T= 14044.18 K 2026-07-24 23:12:22,832 INFO - step #51 R 40613.99 -29593.06 -29792.95 100000.00 T= 14029.47 K 2026-07-24 23:12:23,175 INFO - step #52 T 36791.44 -34296.33 -28912.23 100000.00 T= 14014.77 K 2026-07-24 23:12:23,513 INFO - step #53 R 41494.71 -29593.06 -28912.23 100000.00 T= 14000.06 K 2026-07-24 23:12:23,857 INFO - step #54 T 50533.34 -27326.93 -22139.73 100000.00 T= 13985.36 K 2026-07-24 23:12:24,199 INFO - step #55 T -59288.48 -37148.74 -22139.73 0.00 T= 13970.65 K 2026-07-24 23:12:24,735 INFO - step #56 R -58473.50 -26987.18 -31486.31 0.00 T= 13941.24 K 2026-07-24 23:12:25,469 INFO - step #57 R -58473.50 -26987.18 -31486.31 0.00 T= 13897.13 K 2026-07-24 23:12:25,813 INFO - step #58 T -49244.82 -17758.50 -31486.31 0.00 T= 13882.42 K 2026-07-24 23:12:27,445 INFO - step #59 T -58473.50 -26987.18 -31486.31 0.00 T= 13838.31 K 2026-07-24 23:12:27,788 INFO - step #60 R 41634.25 -26987.18 -31378.57 100000.00 T= 13823.60 K 2026-07-24 23:12:28,342 INFO - step #61 R 33950.63 -26987.18 -39062.19 100000.00 T= 13794.19 K 2026-07-24 23:12:28,684 INFO - step #62 R 140532.11 -28089.32 -31378.57 200000.00 T= 13779.49 K 2026-07-24 23:12:29,029 INFO - step #63 T 60262.37 -22815.18 -16922.45 100000.00 T= 13764.78 K 2026-07-24 23:12:29,374 INFO - step #64 T 154988.23 -28089.32 -16922.45 200000.00 T= 13750.08 K 2026-07-24 23:12:30,302 INFO - step #65 T 150175.86 -25218.07 -24606.07 200000.00 T= 13691.26 K 2026-07-24 23:12:31,426 INFO - step #66 R 158061.59 -17332.34 -24606.07 200000.00 T= 13617.73 K 2026-07-24 23:12:31,770 INFO - step #67 T 149020.15 -18519.22 -32460.63 200000.00 T= 13603.03 K 2026-07-24 23:12:32,114 INFO - step #68 T 143601.50 -17165.37 -39233.13 200000.00 T= 13588.32 K 2026-07-24 23:12:32,691 INFO - step #69 R 148718.62 -19902.82 -31378.57 200000.00 T= 13558.91 K 2026-07-24 23:12:33,029 INFO - step #70 T 142988.10 -25633.33 -31378.57 200000.00 T= 13544.21 K 2026-07-24 23:12:33,367 INFO - step #71 T 133690.24 -34931.19 -31378.57 200000.00 T= 13529.50 K 2026-07-24 23:12:33,709 INFO - step #72 R 135073.83 -33547.60 -31378.57 200000.00 T= 13514.80 K 2026-07-24 23:12:34,047 INFO - step #73 T 146608.08 -22013.35 -31378.57 200000.00 T= 13500.09 K 2026-07-24 23:12:35,731 INFO - step #74 R 39938.98 -28682.45 -31378.57 100000.00 T= 13470.68 K 2026-07-24 23:12:38,078 INFO - step #75 R 142717.54 -25903.89 -31378.57 200000.00 T= 13308.93 K 2026-07-24 23:12:38,412 INFO - step #76 R 44786.95 -23834.48 -31378.57 100000.00 T= 13294.22 K 2026-07-24 23:12:39,139 INFO - step #77 T 149634.93 -18986.50 -31378.57 200000.00 T= 13250.11 K 2026-07-24 23:12:39,471 INFO - step #78 R 144786.95 -23834.48 -31378.57 200000.00 T= 13235.40 K 2026-07-24 23:12:39,809 INFO - step #79 T 50988.79 -17632.64 -31378.57 100000.00 T= 13220.70 K 2026-07-24 23:12:40,144 INFO - step #80 T 65745.20 -17332.34 -16922.45 100000.00 T= 13205.99 K 2026-07-24 23:12:40,478 INFO - step #81 T 44886.57 -23563.91 -31549.51 100000.00 T= 13191.29 K 2026-07-24 23:12:40,813 INFO - step #82 R 54562.26 -21742.78 -23694.95 100000.00 T= 13176.58 K 2026-07-24 23:12:41,149 INFO - step #83 T 59836.40 -16468.64 -23694.95 100000.00 T= 13161.88 K 2026-07-24 23:12:41,484 INFO - step #84 T -35854.97 -12848.66 -23006.31 0.00 T= 13147.17 K 2026-07-24 23:12:42,401 INFO - step #85 T -19050.42 -3619.98 -15430.43 0.00 T= 13088.35 K 2026-07-24 23:12:43,119 INFO - step #86 R -48821.53 -16468.64 -32352.89 0.00 T= 13044.24 K 2026-07-24 23:12:43,644 INFO - step #87 T -33671.13 -8894.12 -24777.01 0.00 T= 13014.83 K 2026-07-24 23:12:44,171 INFO - step #88 T -33671.13 -8894.12 -24777.01 0.00 T= 12985.42 K 2026-07-24 23:12:44,500 INFO - step #89 T -33671.13 -8894.12 -24777.01 0.00 T= 12970.71 K 2026-07-24 23:12:44,828 INFO - step #90 T 62562.95 -13742.10 -23694.95 100000.00 T= 12956.01 K 2026-07-24 23:12:45,543 INFO - step #91 T -21770.43 -4847.98 -16922.45 0.00 T= 12911.89 K 2026-07-24 23:12:45,870 INFO - step #92 R -32162.91 -8467.96 -23694.95 0.00 T= 12897.19 K 2026-07-24 23:12:47,834 INFO - step #93 T -32162.91 -8467.96 -23694.95 0.00 T= 12867.78 K 2026-07-24 23:12:48,168 INFO - step #94 T -37437.05 -13742.10 -23694.95 0.00 T= 12853.07 K 2026-07-24 23:12:48,498 INFO - step #95 R -32589.07 -8894.12 -23694.95 0.00 T= 12838.37 K 2026-07-24 23:12:48,831 INFO - step #96 T -14620.72 -5274.14 -9346.58 0.00 T= 12823.66 K 2026-07-24 23:12:49,354 INFO - step #97 R -22196.59 -5274.14 -16922.45 0.00 T= 12794.25 K 2026-07-24 23:12:49,683 INFO - step #98 R -18240.70 -8894.12 -9346.58 0.00 T= 12779.55 K 2026-07-24 23:12:50,012 INFO - step #99 T -18240.70 -8894.12 -9346.58 0.00 T= 12764.84 K 2026-07-24 23:12:50,530 INFO - step #100 R -19286.60 -12514.10 -6772.50 0.00 T= 12735.43 K 2026-07-24 23:12:50,862 INFO - step #101 T -8894.12 -8894.12 0.00 0.00 T= 12720.73 K 2026-07-24 23:12:51,190 INFO - step #102 T 100000.00 0.00 0.00 100000.00 T= 12706.02 K