2026-09-28 15:58:12,023 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/9af8942e-5c0d-4581-a9a4-b854422d5dfe//ref_struc/prot-na_5328/prot-na_5328.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2026-09-28 15:58:13,143 INFO - step #1 T -2619960.75 -1926921.88 -1693038.87 1000000.00 T= 15000.00 K
2026-09-28 15:58:14,785 INFO - step #2 T -2732853.49 -1907843.05 -1625010.44 800000.00 T= 14651.07 K
2026-09-28 15:58:15,131 INFO - step #3 R -2487526.74 -1820062.61 -1567464.13 900000.00 T= 14601.22 K
2026-09-28 15:58:15,681 INFO - step #4 R -2689792.03 -1856033.83 -1733758.20 900000.00 T= 14501.53 K
2026-09-28 15:58:16,104 INFO - step #5 R -2740456.66 -1857690.26 -1682766.40 800000.00 T= 14451.68 K
2026-09-28 15:58:16,643 INFO - step #6 T -2579595.53 -1774986.37 -1604609.15 800000.00 T= 14351.98 K
2026-09-28 15:58:16,985 INFO - step #7 T -2632048.33 -1811691.11 -1620357.23 800000.00 T= 14302.14 K
2026-09-28 15:58:17,480 INFO - step #8 T -3276975.95 -1845764.65 -1631211.29 200000.00 T= 14252.29 K
2026-09-28 15:58:19,435 INFO - step #9 T -3191546.25 -1799516.03 -1592030.22 200000.00 T= 13803.66 K
2026-09-28 15:58:20,178 INFO - step #10 R -3391204.68 -1890126.51 -1601078.17 100000.00 T= 13703.97 K
2026-09-28 15:58:22,332 INFO - step #11 R -3366327.99 -1876957.93 -1589370.06 100000.00 T= 13205.49 K
2026-09-28 15:58:22,688 INFO - step #12 R -3370359.72 -1864189.30 -1606170.41 100000.00 T= 13155.64 K
2026-09-28 15:58:23,033 INFO - step #13 R -3393252.37 -1878082.74 -1615169.63 100000.00 T= 13105.80 K
2026-09-28 15:58:27,604 INFO - step #14 R -3368333.95 -1878944.79 -1589389.16 100000.00 T= 12059.00 K
2026-09-28 15:58:31,387 INFO - step #15 R -3385422.52 -1888700.04 -1596722.48 100000.00 T= 11161.75 K
2026-09-28 15:58:32,920 INFO - step #16 R -3385785.01 -1874651.13 -1611133.88 100000.00 T= 10812.81 K
2026-09-28 15:58:34,406 INFO - step #17 R -3346318.20 -1856808.63 -1589509.57 100000.00 T= 10563.58 K
2026-09-28 15:58:35,147 INFO - step #18 R -3361497.59 -1875976.45 -1585521.14 100000.00 T= 10414.03 K
2026-09-28 15:58:38,121 INFO - step #19 R -3334905.45 -1839620.37 -1595285.08 100000.00 T= 9716.17 K
2026-09-28 15:58:39,860 INFO - step #20 R -3348607.36 -1853964.85 -1594642.52 100000.00 T= 9317.39 K
2026-09-28 15:58:41,002 INFO - step #21 R -3348962.20 -1860609.66 -1588352.54 100000.00 T= 9068.15 K
2026-09-28 15:58:42,567 INFO - step #22 R -3348534.91 -1847667.55 -1600867.37 100000.00 T= 8818.92 K
2026-09-28 15:58:46,755 INFO - step #23 R -3366549.35 -1883328.50 -1583220.85 100000.00 T= 7821.97 K
2026-09-28 15:58:47,710 INFO - step #24 R -3364394.02 -1856859.23 -1607534.79 100000.00 T= 7622.58 K
2026-09-28 15:58:48,674 INFO - step #25 R -3181635.48 -1821127.18 -1560508.31 200000.00 T= 7423.19 K
2026-09-28 15:58:49,415 INFO - step #26 T -3110840.98 -1833733.62 -1577107.35 300000.00 T= 7273.64 K
2026-09-28 15:58:51,367 INFO - step #27 T -3158240.01 -1808070.79 -1550169.22 200000.00 T= 6825.02 K
2026-09-28 15:58:52,437 INFO - step #28 R -3322493.99 -1840187.17 -1582306.83 100000.00 T= 6725.32 K
2026-09-28 15:58:53,382 INFO - step #29 T -3292998.06 -1817080.25 -1575917.81 100000.00 T= 6525.93 K
2026-09-28 15:58:55,735 INFO - step #30 T -3334518.85 -1880188.81 -1654330.03 200000.00 T= 5977.61 K
2026-09-28 15:59:03,254 INFO - step #31 R -3352840.96 -1888428.35 -1664412.61 200000.00 T= 4183.10 K
2026-09-28 15:59:13,555 INFO - step #32 R -3325585.44 -1875019.73 -1650565.71 200000.00 T= 1740.58 K
2026-09-28 15:59:14,496 INFO - step #33 R -3332198.65 -1891412.89 -1640785.76 200000.00 T= 1541.19 K
2026-09-28 15:59:20,610 INFO - save short traj
2026-09-28 15:59:21,432 INFO - save best.pdb
2026-09-28 15:59:21,457 INFO - save plot e_step.png
2026-09-28 15:59:21,866 INFO - done
2026-09-28 15:59:22,840 INFO - start - parameters:
    File name /home/rpdock/web/media/jobs/9af8942e-5c0d-4581-a9a4-b854422d5dfe//ref_struc/prot-na_5328/prot-na_5328.pdb
    Steps 295
    Temp. start 15000.0
    Temp. end 295.0
    False
    
2026-09-28 15:59:23,981 INFO - step #1 T -2428045.79 -1785119.43 -1442926.36 800000.00 T= 15000.00 K
2026-09-28 15:59:25,008 INFO - step #2 R -2440998.03 -1791526.18 -1449471.85 800000.00 T= 14800.61 K
2026-09-28 15:59:25,556 INFO - step #3 R -2634240.61 -1845551.13 -1588689.48 800000.00 T= 14700.92 K
2026-09-28 15:59:26,518 INFO - step #4 T -2296129.30 -1693639.16 -1402490.14 800000.00 T= 14501.53 K
2026-09-28 15:59:26,955 INFO - step #5 R -2482969.17 -1740084.82 -1442884.35 700000.00 T= 14451.68 K
2026-09-28 15:59:28,100 INFO - step #6 T -2578689.28 -1806266.08 -1572423.20 800000.00 T= 14202.44 K
2026-09-28 15:59:28,636 INFO - step #7 T -2830425.42 -1751433.16 -1478992.26 400000.00 T= 14102.75 K
2026-09-28 15:59:29,320 INFO - step #8 R -2691293.14 -1719144.50 -1472148.64 500000.00 T= 14003.05 K
2026-09-28 15:59:29,674 INFO - step #9 T -3132719.97 -1774539.27 -1558180.70 200000.00 T= 13953.20 K
2026-09-28 15:59:30,215 INFO - step #10 T -3079943.17 -1696416.29 -1383526.88 0.00 T= 13903.36 K
2026-09-28 15:59:31,341 INFO - step #11 T -2999393.56 -1679215.03 -1420178.53 100000.00 T= 13654.12 K
2026-09-28 15:59:31,692 INFO - step #12 R -3254013.16 -1822167.41 -1531845.75 100000.00 T= 13604.27 K
2026-09-28 15:59:32,691 INFO - step #13 R -3225580.84 -1797289.43 -1528291.41 100000.00 T= 13454.73 K
2026-09-28 15:59:33,249 INFO - step #14 T -3092213.73 -1680149.09 -1412064.64 0.00 T= 13355.03 K
2026-09-28 15:59:35,430 INFO - step #15 T -2942946.45 -1687800.67 -1455145.78 200000.00 T= 12856.56 K
2026-09-28 15:59:35,805 INFO - step #16 R -3005812.40 -1671239.76 -1434572.64 100000.00 T= 12806.71 K
2026-09-28 15:59:37,119 INFO - step #17 T -3035650.33 -1841678.78 -1593971.55 400000.00 T= 12657.17 K
2026-09-28 15:59:37,536 INFO - step #18 R -2905705.09 -1826674.55 -1579030.53 500000.00 T= 12607.32 K
2026-09-28 15:59:39,854 INFO - step #19 R -3073884.85 -1869108.76 -1604776.09 400000.00 T= 12108.85 K
2026-09-28 15:59:40,675 INFO - step #20 R -3140524.50 -1904216.48 -1636308.02 400000.00 T= 11959.31 K
2026-09-28 15:59:41,086 INFO - step #21 R -3102965.28 -1883998.32 -1618966.97 400000.00 T= 11909.46 K
2026-09-28 15:59:42,149 INFO - step #22 R -3105140.95 -1868616.05 -1636524.90 400000.00 T= 11859.61 K
2026-09-28 15:59:44,944 INFO - step #23 T -3058472.64 -1711559.44 -1446913.20 100000.00 T= 11261.44 K
2026-09-28 15:59:45,301 INFO - step #24 R -3062676.80 -1710451.67 -1452225.13 100000.00 T= 11211.59 K
2026-09-28 15:59:45,694 INFO - step #25 R -3079905.31 -1716251.28 -1463654.03 100000.00 T= 11161.75 K
2026-09-28 15:59:47,681 INFO - step #26 R -3092367.05 -1729217.86 -1463149.19 100000.00 T= 10713.12 K
2026-09-28 15:59:49,127 INFO - step #27 T -3161152.99 -1750318.24 -1610834.75 200000.00 T= 10414.03 K
2026-09-28 15:59:50,337 INFO - step #28 T -3188824.15 -1771113.61 -1517710.55 100000.00 T= 10364.19 K
2026-09-28 15:59:50,962 INFO - step #29 R -3090525.85 -1716850.10 -1473675.75 100000.00 T= 10264.49 K
2026-09-28 15:59:51,863 INFO - step #30 T -3026473.74 -1722286.18 -1504187.56 200000.00 T= 10114.95 K
2026-09-28 15:59:52,785 INFO - step #31 T -3142413.58 -1777105.80 -1565307.77 200000.00 T= 9965.41 K
2026-09-28 15:59:53,482 INFO - step #32 T -3128418.27 -1811511.67 -1516906.61 200000.00 T= 9865.71 K
2026-09-28 15:59:54,538 INFO - step #33 R -3112269.76 -1791269.52 -1521000.24 200000.00 T= 9666.32 K
2026-09-28 15:59:55,128 INFO - step #34 R -3175338.91 -1824628.00 -1550710.91 200000.00 T= 9566.63 K
2026-09-28 15:59:56,972 INFO - step #35 R -3253380.79 -1815841.01 -1537539.77 100000.00 T= 9417.08 K
2026-09-28 15:59:59,038 INFO - step #36 T -3224870.32 -1897902.56 -1626967.76 300000.00 T= 8968.46 K
2026-09-28 15:59:59,874 INFO - step #37 T -3211982.86 -1789438.85 -1622544.00 200000.00 T= 8818.92 K
2026-09-28 16:00:01,345 INFO - step #38 R -3211660.68 -1784374.74 -1627285.93 200000.00 T= 8519.83 K
2026-09-28 16:00:01,973 INFO - step #39 R -3210151.33 -1788657.49 -1621493.84 200000.00 T= 8420.14 K
2026-09-28 16:00:04,083 INFO - step #40 T -3158975.12 -1766188.33 -1492786.79 100000.00 T= 7971.51 K
2026-09-28 16:00:04,901 INFO - step #41 R -3152502.17 -1767167.65 -1485334.52 100000.00 T= 7821.97 K
2026-09-28 16:00:05,759 INFO - step #42 R -3173206.87 -1772075.25 -1501131.63 100000.00 T= 7672.42 K
2026-09-28 16:00:06,118 INFO - step #43 R -3182031.36 -1774872.72 -1507158.63 100000.00 T= 7622.58 K
2026-09-28 16:00:07,361 INFO - step #44 T -3166223.49 -1771253.86 -1494969.62 100000.00 T= 7373.34 K
2026-09-28 16:00:09,034 INFO - step #45 R -3168592.68 -1773119.24 -1495473.44 100000.00 T= 7273.64 K
2026-09-28 16:00:09,769 INFO - step #46 R -3272656.86 -1779548.24 -1493108.61 0.00 T= 7173.95 K
2026-09-28 16:00:11,012 INFO - step #47 T -3448730.68 -1907161.32 -1641569.36 100000.00 T= 6924.71 K
2026-09-28 16:00:11,408 INFO - step #48 R -3454772.43 -1922131.39 -1632641.05 100000.00 T= 6874.86 K
2026-09-28 16:00:13,235 INFO - step #49 R -3479410.00 -1925841.57 -1653568.43 100000.00 T= 6525.93 K
2026-09-28 16:00:15,188 INFO - step #50 R -3471312.05 -1922802.17 -1648509.88 100000.00 T= 6127.15 K
2026-09-28 16:00:16,728 INFO - step #51 R -3490369.05 -1923955.89 -1666413.15 100000.00 T= 5828.07 K
2026-09-28 16:00:21,855 INFO - step #52 R -3477831.89 -1919713.50 -1658118.39 100000.00 T= 4731.42 K
2026-09-28 16:00:23,601 INFO - step #53 R -3618755.05 -1949580.69 -1669174.36 0.00 T= 4382.49 K
2026-09-28 16:00:35,550 INFO - step #54 R -3619980.77 -1949677.11 -1670303.67 0.00 T= 1591.03 K
2026-09-28 16:00:42,598 INFO - save short traj
2026-09-28 16:00:43,855 INFO - save best.pdb
2026-09-28 16:00:43,881 INFO - save plot e_step.png
2026-09-28 16:00:44,296 INFO - done