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parameters: File name /home/rpdock/web/media/jobs/64c6590c-39ff-461a-b324-72d5dc660b6f//ref_struc/na-prot_6336/na-prot_6336.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False 2026-07-26 23:14:00,218 INFO - step #1 T -1411638.12 -2551540.79 -2260097.33 3400000.00 T= 15000.00 K 2026-07-26 23:14:00,506 INFO - step #2 T -2224105.99 -2379870.05 -2144235.93 2300000.00 T= 14970.59 K 2026-07-26 23:14:00,904 INFO - step #3 R -2061331.80 -2350894.09 -2110437.71 2400000.00 T= 14926.48 K 2026-07-26 23:14:01,088 INFO - step #4 T -2221104.08 -2257064.68 -2064039.39 2100000.00 T= 14911.77 K 2026-07-26 23:14:01,271 INFO - step #5 R -2303913.66 -2306549.51 -2097364.14 2100000.00 T= 14897.07 K 2026-07-26 23:14:01,518 INFO - step #6 R -2109591.23 -2368130.03 -2141461.19 2400000.00 T= 14882.36 K 2026-07-26 23:14:02,159 INFO - step #7 T -2445016.64 -2316060.48 -2128956.15 2000000.00 T= 14808.84 K 2026-07-26 23:14:03,225 INFO - step #8 T -2522018.61 -2294563.40 -2127455.21 1900000.00 T= 14676.49 K 2026-07-26 23:14:03,949 INFO - 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step #69 R -3474021.65 -2545442.01 -2228579.64 1300000.00 T= 8794.49 K 2026-07-26 23:14:54,255 INFO - step #70 R -3478695.29 -2550050.48 -2228644.81 1300000.00 T= 8779.79 K 2026-07-26 23:14:54,562 INFO - step #71 R -3468690.08 -2455060.73 -2113629.35 1100000.00 T= 8750.38 K 2026-07-26 23:14:55,090 INFO - step #72 R -3466106.56 -2539678.36 -2226428.20 1300000.00 T= 8691.56 K 2026-07-26 23:14:56,136 INFO - step #73 R -3472008.69 -2586709.17 -2285299.52 1400000.00 T= 8632.74 K 2026-07-26 23:14:56,550 INFO - step #74 T -2995401.79 -2426981.35 -2168420.44 1600000.00 T= 8588.62 K 2026-07-26 23:14:56,846 INFO - step #75 R -2797914.65 -2447734.76 -2150179.89 1800000.00 T= 8559.21 K 2026-07-26 23:14:57,036 INFO - step #76 T -2821375.98 -2325666.52 -2095709.46 1600000.00 T= 8544.51 K 2026-07-26 23:14:57,544 INFO - step #77 T -2872815.86 -2313326.17 -2059489.69 1500000.00 T= 8485.69 K 2026-07-26 23:14:57,942 INFO - step #78 T -2992831.77 -2281262.64 -2011569.13 1300000.00 T= 8441.57 K 2026-07-26 23:14:58,121 INFO - step #79 R -3193969.08 -2348134.95 -2045834.14 1200000.00 T= 8426.87 K 2026-07-26 23:14:58,525 INFO - step #80 R -3311016.34 -2354698.18 -2056318.16 1100000.00 T= 8382.75 K 2026-07-26 23:14:59,039 INFO - step #81 T -3300222.57 -2404670.04 -2095552.53 1200000.00 T= 8323.93 K 2026-07-26 23:14:59,653 INFO - step #82 T -3519375.33 -2411456.55 -2107918.78 1000000.00 T= 8250.41 K 2026-07-26 23:15:00,706 INFO - step #83 T -3653967.67 -2536099.38 -2217868.29 1100000.00 T= 8118.06 K 2026-07-26 23:15:01,436 INFO - step #84 T -3892791.98 -2607175.46 -2285616.52 1000000.00 T= 8029.83 K 2026-07-26 23:15:04,111 INFO - step #85 R -3815810.78 -2619522.47 -2296288.31 1100000.00 T= 7691.62 K 2026-07-26 23:15:08,503 INFO - step #86 R -4035353.50 -2633441.22 -2301912.28 900000.00 T= 7118.12 K 2026-07-26 23:15:19,534 INFO - step #87 R -3923208.45 -2623553.35 -2299655.10 1000000.00 T= 5794.67 K 2026-07-26 23:15:20,184 INFO - step #88 R -3923208.45 -2623553.35 -2299655.10 1000000.00 T= 5721.15 K 2026-07-26 23:15:21,389 INFO - step #89 R -4023439.70 -2627761.71 -2295677.99 900000.00 T= 5574.10 K 2026-07-26 23:16:02,956 INFO - save short traj 2026-07-26 23:16:03,043 INFO - save best.pdb 2026-07-26 23:16:03,068 INFO - save plot e_step.png 2026-07-26 23:16:03,462 INFO - done