2026-09-28 09:32:09,837 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5555/prot-na_5555.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2026-09-28 09:32:11,572 INFO - step #1 R -760181.09 -1908198.64 -1651982.45 2800000.00 T= 14850.46 K
2026-09-28 09:32:11,989 INFO - step #2 R -880985.54 -1892394.27 -1688591.28 2700000.00 T= 14800.61 K
2026-09-28 09:32:12,345 INFO - step #3 R -1053407.82 -1927013.84 -1626393.98 2500000.00 T= 14750.76 K
2026-09-28 09:32:12,897 INFO - step #4 T -1126205.99 -1886393.39 -1639812.60 2400000.00 T= 14651.07 K
2026-09-28 09:32:13,525 INFO - step #5 R -1176688.63 -1889485.73 -1687202.90 2400000.00 T= 14551.37 K
2026-09-28 09:32:14,077 INFO - step #6 T -1742215.90 -1880628.64 -1661587.27 1800000.00 T= 14451.68 K
2026-09-28 09:32:15,426 INFO - step #7 R -1767155.21 -1891356.99 -1675798.22 1800000.00 T= 14152.59 K
2026-09-28 09:32:15,925 INFO - step #8 T -1884128.67 -1679377.40 -1504751.27 1300000.00 T= 14102.75 K
2026-09-28 09:32:16,275 INFO - step #9 T -2065643.00 -1809056.38 -1656586.62 1400000.00 T= 14052.90 K
2026-09-28 09:32:17,823 INFO - step #10 R -2013373.27 -1793772.08 -1619601.19 1400000.00 T= 13753.81 K
2026-09-28 09:32:18,583 INFO - step #11 R -2009411.54 -1791164.33 -1618247.21 1400000.00 T= 13604.27 K
2026-09-28 09:32:28,627 INFO - step #12 T -1941636.24 -1650020.44 -1491615.80 1200000.00 T= 11211.59 K
2026-09-28 09:32:28,968 INFO - step #13 R -1884802.57 -1621129.89 -1463672.68 1200000.00 T= 11161.75 K
2026-09-28 09:32:30,967 INFO - step #14 R -1873550.11 -1612660.45 -1460889.65 1200000.00 T= 10762.97 K
2026-09-28 09:32:31,320 INFO - step #15 R -1883051.89 -1617459.92 -1465591.97 1200000.00 T= 10713.12 K
2026-09-28 09:32:31,861 INFO - step #16 R -1881922.81 -1623730.86 -1458191.95 1200000.00 T= 10613.42 K
2026-09-28 09:32:32,208 INFO - step #17 T -2210894.50 -1740442.33 -1570452.16 1100000.00 T= 10563.58 K
2026-09-28 09:32:33,501 INFO - step #18 R -2202439.94 -1730714.57 -1571725.37 1100000.00 T= 10364.19 K
2026-09-28 09:32:34,875 INFO - step #19 R -2242094.98 -1750047.76 -1592047.22 1100000.00 T= 10065.10 K
2026-09-28 09:32:40,529 INFO - step #20 R -2105271.61 -1747958.78 -1557312.83 1200000.00 T= 8719.22 K
2026-09-28 09:32:42,095 INFO - step #21 R -2052092.27 -1724400.06 -1527692.21 1200000.00 T= 8370.29 K
2026-09-28 09:32:46,747 INFO - step #22 R -2057617.72 -1723094.71 -1534523.01 1200000.00 T= 7373.34 K
2026-09-28 09:32:52,644 INFO - step #23 R -2056191.92 -1716926.76 -1539265.17 1200000.00 T= 5977.61 K
2026-09-28 09:32:54,601 INFO - step #24 R -2050326.79 -1721286.87 -1529039.91 1200000.00 T= 5528.98 K
2026-09-28 09:32:55,352 INFO - step #25 R -2096665.22 -1741963.65 -1554701.58 1200000.00 T= 5379.44 K
2026-09-28 09:32:55,703 INFO - step #26 R -2232738.47 -1747670.84 -1585067.64 1100000.00 T= 5329.59 K
2026-09-28 09:32:57,250 INFO - step #27 R -2235317.39 -1748794.26 -1586523.14 1100000.00 T= 4980.66 K
2026-09-28 09:33:00,177 INFO - step #28 R -2222074.37 -1739198.72 -1582875.66 1100000.00 T= 4432.34 K
2026-09-28 09:33:04,169 INFO - step #29 R -2207548.60 -1733776.33 -1573772.27 1100000.00 T= 3485.24 K
2026-09-28 09:33:07,921 INFO - step #30 R -2212575.80 -1735832.16 -1576743.64 1100000.00 T= 2587.98 K
2026-09-28 09:33:09,480 INFO - step #31 R -2214153.66 -1733537.59 -1580616.07 1100000.00 T= 2239.05 K
2026-09-28 09:33:10,058 INFO - step #32 R -2209337.91 -1732232.23 -1577105.68 1100000.00 T= 2139.36 K
2026-09-28 09:33:11,014 INFO - step #33 R -2214196.55 -1733367.48 -1580829.07 1100000.00 T= 1939.97 K
2026-09-28 09:33:12,586 INFO - step #34 R -2229084.07 -1750361.29 -1578722.78 1100000.00 T= 1591.03 K
2026-09-28 09:33:18,890 INFO - save short traj
2026-09-28 09:33:19,746 INFO - save best.pdb
2026-09-28 09:33:19,771 INFO - save plot e_step.png
2026-09-28 09:33:20,194 INFO - done
2026-09-28 09:33:21,202 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/c7e459d9-fc7f-44b3-8e8b-7bcaf29aa093//ref_struc/prot-na_5555/prot-na_5555.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2026-09-28 09:33:22,357 INFO - step #1 R -1069211.30 -1953275.61 -1715935.69 2600000.00 T= 15000.00 K
2026-09-28 09:33:22,967 INFO - step #2 R -984637.00 -1915149.32 -1669487.69 2600000.00 T= 14900.31 K
2026-09-28 09:33:23,335 INFO - step #3 R -1364488.94 -1910688.16 -1653800.79 2200000.00 T= 14850.46 K
2026-09-28 09:33:23,886 INFO - step #4 T -1581616.92 -1832713.72 -1648903.21 1900000.00 T= 14750.76 K
2026-09-28 09:33:24,937 INFO - step #5 R -1617352.92 -1888994.98 -1628357.94 1900000.00 T= 14551.37 K
2026-09-28 09:33:26,715 INFO - step #6 R -1673536.92 -1877994.54 -1695542.38 1900000.00 T= 14152.59 K
2026-09-28 09:33:27,265 INFO - step #7 T -1967377.90 -1976646.38 -1790731.52 1800000.00 T= 14052.90 K
2026-09-28 09:33:28,150 INFO - step #8 T -1795175.94 -2111777.04 -1883398.90 2200000.00 T= 13903.36 K
2026-09-28 09:33:28,494 INFO - step #9 T -2309873.68 -2022149.85 -1787723.83 1500000.00 T= 13853.51 K
2026-09-28 09:33:29,435 INFO - step #10 T -2018510.57 -2247381.01 -1971129.55 2200000.00 T= 13703.97 K
2026-09-28 09:33:29,788 INFO - step #11 R -2292927.27 -2022347.60 -1870579.67 1600000.00 T= 13654.12 K
2026-09-28 09:33:30,960 INFO - step #12 T -2875238.81 -2009778.33 -1865460.48 1000000.00 T= 13404.88 K
2026-09-28 09:33:33,393 INFO - step #13 R -2617569.63 -1995719.94 -1821849.69 1200000.00 T= 12906.41 K
2026-09-28 09:33:34,358 INFO - step #14 T -2691492.50 -2118129.30 -1873363.20 1300000.00 T= 12707.02 K
2026-09-28 09:33:34,718 INFO - step #15 R -3104258.17 -2284524.76 -2019733.41 1200000.00 T= 12657.17 K
2026-09-28 09:33:35,084 INFO - step #16 R -3088509.05 -2282799.46 -2005709.59 1200000.00 T= 12607.32 K
2026-09-28 09:33:35,653 INFO - step #17 T -3137431.46 -2388366.66 -2149064.80 1400000.00 T= 12507.63 K
2026-09-28 09:33:36,757 INFO - step #18 R -3115202.90 -2386657.36 -2128545.54 1400000.00 T= 12358.08 K
2026-09-28 09:33:37,109 INFO - step #19 R -3115823.44 -2387277.90 -2128545.54 1400000.00 T= 12308.24 K
2026-09-28 09:33:37,880 INFO - step #20 R -3114809.72 -2374230.61 -2140579.10 1400000.00 T= 12158.69 K
2026-09-28 09:33:40,122 INFO - step #21 R -3138264.56 -2392450.23 -2145814.33 1400000.00 T= 11660.22 K
2026-09-28 09:33:54,086 INFO - step #22 R -3093837.90 -2384276.33 -2109561.57 1400000.00 T= 8619.53 K
2026-09-28 09:33:58,033 INFO - step #23 T -3261209.68 -2363893.54 -2097316.14 1200000.00 T= 7722.27 K
2026-09-28 09:33:58,402 INFO - step #24 R -3372599.03 -2364398.72 -2108200.31 1100000.00 T= 7672.42 K
2026-09-28 09:33:58,779 INFO - step #25 R -3345842.32 -2348344.72 -2097497.60 1100000.00 T= 7622.58 K
2026-09-28 09:34:10,845 INFO - step #26 R -3368052.55 -2363757.78 -2104294.77 1100000.00 T= 4831.12 K
2026-09-28 09:34:14,591 INFO - step #27 R -3377753.32 -2369937.92 -2107815.40 1100000.00 T= 3983.71 K
2026-09-28 09:34:15,159 INFO - step #28 R -3349149.47 -2352332.48 -2096816.99 1100000.00 T= 3884.02 K
2026-09-28 09:34:19,697 INFO - step #29 R -3347880.69 -2353036.84 -2094843.85 1100000.00 T= 2986.76 K
2026-09-28 09:34:22,604 INFO - step #30 R -3356261.50 -2358867.52 -2097393.97 1100000.00 T= 2338.75 K
2026-09-28 09:34:23,392 INFO - step #31 R -3345164.22 -2351424.18 -2093740.05 1100000.00 T= 2189.20 K
2026-09-28 09:34:32,442 INFO - save short traj
2026-09-28 09:34:32,621 INFO - save best.pdb
2026-09-28 09:34:32,645 INFO - save plot e_step.png
2026-09-28 09:34:33,061 INFO - done