2026-09-28 12:45:36,714 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/f7013d68-6b34-49b0-8df9-a432b0fb0c11//ref_struc/prot-na_2447/prot-na_2447.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2026-09-28 12:45:38,890 INFO - step #1 R -1583497.83 -1789511.11 -1793986.72 2000000.00 T= 14750.76 K
2026-09-28 12:45:39,522 INFO - step #2 R -1582189.60 -1789511.11 -1792678.49 2000000.00 T= 14651.07 K
2026-09-28 12:45:40,912 INFO - step #3 R -1221898.21 -1809436.48 -1812461.73 2400000.00 T= 14351.98 K
2026-09-28 12:45:42,193 INFO - step #4 T -1649746.86 -1897431.61 -1852315.25 2100000.00 T= 14102.75 K
2026-09-28 12:45:43,050 INFO - step #5 R -1701131.39 -1924130.47 -1877000.92 2100000.00 T= 13953.20 K
2026-09-28 12:45:43,406 INFO - step #6 R -1690093.75 -1807248.78 -1782844.96 1900000.00 T= 13903.36 K
2026-09-28 12:45:44,116 INFO - step #7 R -1347664.86 -1843086.35 -1804578.50 2300000.00 T= 13803.66 K
2026-09-28 12:45:44,461 INFO - step #8 T -1470674.66 -1823764.55 -1746910.11 2100000.00 T= 13753.81 K
2026-09-28 12:45:45,030 INFO - step #9 R -1743609.15 -2019125.55 -1924483.60 2200000.00 T= 13654.12 K
2026-09-28 12:45:47,438 INFO - step #10 R -1743610.20 -2019126.60 -1924483.60 2200000.00 T= 13155.64 K
2026-09-28 12:45:48,621 INFO - step #11 R -1754878.72 -2024925.55 -1929953.17 2200000.00 T= 12906.41 K
2026-09-28 12:45:50,415 INFO - step #12 T -1771974.05 -1931775.98 -1840198.06 2000000.00 T= 12507.63 K
2026-09-28 12:45:51,626 INFO - step #13 T -1523694.09 -1990467.96 -1933226.12 2400000.00 T= 12308.24 K
2026-09-28 12:45:53,203 INFO - step #14 R -1535573.32 -1995523.78 -1940049.54 2400000.00 T= 11959.31 K
2026-09-28 12:45:55,803 INFO - step #15 T -1485728.75 -1843176.05 -1742552.71 2100000.00 T= 11361.14 K
2026-09-28 12:45:56,155 INFO - step #16 T -1846873.64 -1868219.35 -1778654.29 1800000.00 T= 11311.29 K
2026-09-28 12:45:57,843 INFO - step #17 T -1777264.12 -1839194.22 -1738069.90 1800000.00 T= 11012.20 K
2026-09-28 12:45:58,191 INFO - step #18 R -1777223.03 -1840606.36 -1736616.67 1800000.00 T= 10962.36 K
2026-09-28 12:46:00,767 INFO - step #19 T -1789129.87 -1878052.83 -1811077.04 1900000.00 T= 10364.19 K
2026-09-28 12:46:01,340 INFO - step #20 T -1762232.33 -1813214.40 -1749017.94 1800000.00 T= 10264.49 K
2026-09-28 12:46:02,518 INFO - step #21 T -1799363.58 -1738194.79 -1661168.80 1600000.00 T= 10015.25 K
2026-09-28 12:46:04,590 INFO - step #22 R -1795268.97 -1737580.60 -1657688.37 1600000.00 T= 9666.32 K
2026-09-28 12:46:06,045 INFO - step #23 R -1917829.63 -1749429.40 -1668400.23 1500000.00 T= 9367.24 K
2026-09-28 12:46:06,601 INFO - step #24 T -2077013.29 -1864379.86 -1812633.43 1600000.00 T= 9267.54 K
2026-09-28 12:46:11,305 INFO - step #25 T -2205684.27 -1792879.12 -1712805.14 1300000.00 T= 8170.90 K
2026-09-28 12:46:15,315 INFO - step #26 R -2220322.22 -1797612.55 -1722709.67 1300000.00 T= 7223.80 K
2026-09-28 12:46:16,458 INFO - step #27 R -2233795.60 -1793988.66 -1739806.94 1300000.00 T= 6974.56 K
2026-09-28 12:46:19,428 INFO - step #28 R -2225347.92 -1788373.48 -1736974.44 1300000.00 T= 6426.24 K
2026-09-28 12:46:23,231 INFO - step #29 R -2197989.74 -1789797.55 -1708192.19 1300000.00 T= 5528.98 K
2026-09-28 12:46:23,780 INFO - step #30 R -2216705.47 -1800175.99 -1716529.48 1300000.00 T= 5429.29 K
2026-09-28 12:46:25,784 INFO - step #31 R -2207224.78 -1797146.50 -1710078.29 1300000.00 T= 4980.66 K
2026-09-28 12:46:29,801 INFO - step #32 R -2224150.66 -1801893.73 -1722256.93 1300000.00 T= 4033.56 K
2026-09-28 12:46:30,356 INFO - step #33 R -2203817.51 -1798629.64 -1705187.87 1300000.00 T= 3933.86 K
2026-09-28 12:46:31,743 INFO - step #34 R -2215840.88 -1802926.12 -1712914.75 1300000.00 T= 3634.78 K
2026-09-28 12:46:37,116 INFO - step #35 R -2209132.29 -1800046.18 -1709086.11 1300000.00 T= 2538.14 K
2026-09-28 12:46:39,407 INFO - step #36 T -2626358.31 -1747160.07 -1679198.25 800000.00 T= 2039.66 K
2026-09-28 12:46:40,463 INFO - step #37 R -2626812.11 -1751846.06 -1674966.06 800000.00 T= 1840.27 K
2026-09-28 12:46:43,700 INFO - step #38 R -2613593.80 -1745292.29 -1668301.51 800000.00 T= 1092.56 K
2026-09-28 12:46:48,187 INFO - save short traj
2026-09-28 12:46:48,378 INFO - save best.pdb
2026-09-28 12:46:48,401 INFO - save plot e_step.png
2026-09-28 12:46:48,825 INFO - done
2026-09-28 12:46:49,870 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/f7013d68-6b34-49b0-8df9-a432b0fb0c11//ref_struc/prot-na_2447/prot-na_2447.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2026-09-28 12:46:51,204 INFO - step #1 R -1617328.29 -1804220.77 -1813107.52 2000000.00 T= 14950.15 K
2026-09-28 12:46:57,820 INFO - step #2 R -1638237.83 -1809426.24 -1828811.59 2000000.00 T= 13454.73 K
2026-09-28 12:46:58,967 INFO - step #3 R -1704266.27 -1805390.10 -1798876.17 1900000.00 T= 13205.49 K
2026-09-28 12:47:00,222 INFO - step #4 R -1703658.39 -1805063.85 -1798594.54 1900000.00 T= 12956.25 K
2026-09-28 12:47:02,612 INFO - step #5 R -1076135.30 -1762135.08 -1714000.22 2400000.00 T= 12407.93 K
2026-09-28 12:47:02,953 INFO - step #6 R -1070169.93 -1760165.55 -1710004.37 2400000.00 T= 12358.08 K
2026-09-28 12:47:03,637 INFO - step #7 T -1919084.12 -1670701.61 -1648382.51 1400000.00 T= 12258.39 K
2026-09-28 12:47:03,998 INFO - step #8 T -1824261.71 -1668936.78 -1655324.93 1500000.00 T= 12208.54 K
2026-09-28 12:47:04,359 INFO - step #9 R -1805511.19 -1690013.41 -1715497.78 1600000.00 T= 12158.69 K
2026-09-28 12:47:06,314 INFO - step #10 R -1710348.27 -1662128.18 -1648220.09 1600000.00 T= 11759.92 K
2026-09-28 12:47:06,665 INFO - step #11 R -1986631.40 -1737978.53 -1748652.87 1500000.00 T= 11710.07 K
2026-09-28 12:47:08,262 INFO - step #12 T -1985770.61 -1732516.03 -1753254.58 1500000.00 T= 11361.14 K
2026-09-28 12:47:13,983 INFO - step #13 T -2100658.97 -1813771.07 -1786887.89 1500000.00 T= 10065.10 K
2026-09-28 12:47:15,558 INFO - step #14 R -2086995.84 -1802265.14 -1784730.70 1500000.00 T= 9716.17 K
2026-09-28 12:47:17,147 INFO - step #15 R -2043008.61 -1788443.53 -1754565.08 1500000.00 T= 9367.24 K
2026-09-28 12:47:18,227 INFO - step #16 R -2202794.39 -1829130.33 -1773664.06 1400000.00 T= 9217.69 K
2026-09-28 12:47:18,999 INFO - step #17 R -2195155.83 -1824988.50 -1770167.33 1400000.00 T= 9068.15 K
2026-09-28 12:47:20,359 INFO - step #18 T -2254121.87 -1863865.94 -1790255.93 1400000.00 T= 8769.07 K
2026-09-28 12:47:23,339 INFO - step #19 T -2237911.42 -1840112.50 -1797798.92 1400000.00 T= 8071.20 K
2026-09-28 12:47:23,896 INFO - step #20 R -2250273.25 -1842454.13 -1807819.13 1400000.00 T= 7971.51 K
2026-09-28 12:47:26,122 INFO - step #21 R -2120295.28 -1822867.80 -1797427.48 1500000.00 T= 7572.73 K
2026-09-28 12:47:26,477 INFO - step #22 R -2255241.96 -1843179.12 -1812062.84 1400000.00 T= 7522.88 K
2026-09-28 12:47:29,097 INFO - step #23 R -2255243.46 -1844996.32 -1810247.14 1400000.00 T= 6924.71 K
2026-09-28 12:47:34,649 INFO - step #24 R -2255484.41 -1844212.59 -1811271.82 1400000.00 T= 5628.68 K
2026-09-28 12:47:39,952 INFO - step #25 R -2291828.78 -1858324.51 -1833504.26 1400000.00 T= 4382.49 K
2026-09-28 12:47:58,011 INFO - save short traj
2026-09-28 12:47:58,696 INFO - save best.pdb
2026-09-28 12:47:58,720 INFO - save plot e_step.png
2026-09-28 12:47:59,118 INFO - done