start - 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 msg start - 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 Step E Edist Eang Epen Warning, residue G1 in the chain A has not P atom 0 - -1094674.34 -2525413.90 -2269260.44 3700000.00 1 T -1411638.12 -2551540.79 -2260097.33 3400000.00 T= 15000.0 K progress 0.1 2 T -2224105.99 -2379870.05 -2144235.93 2300000.00 T= 14970.59 K progress 0.2 3 R -2061331.80 -2350894.09 -2110437.71 2400000.00 T= 14926.475 K progress 0.3 4 T -2221104.08 -2257064.68 -2064039.39 2100000.00 T= 14911.77 K progress 0.4 5 R -2303913.66 -2306549.51 -2097364.14 2100000.00 T= 14897.065 K progress 0.5 6 R -2109591.23 -2368130.03 -2141461.19 2400000.00 T= 14882.36 K progress 0.6 7 T -2445016.64 -2316060.48 -2128956.15 2000000.00 T= 14808.835 K progress 0.7 8 T -2522018.61 -2294563.40 -2127455.21 1900000.00 T= 14676.49 K progress 0.8 9 T -2507577.28 -2292183.73 -2115393.55 1900000.00 T= 14588.26 K progress 0.9 10 R -2462024.04 -2387512.18 -2174511.87 2100000.00 T= 14573.555 K progress 1.0 11 R -2483744.37 -2282054.96 -2101689.41 1900000.00 T= 14544.145 K progress 1.1 12 R -2537479.89 -2309382.12 -2128097.77 1900000.00 T= 14529.44 K progress 1.2 13 T -2399974.88 -2372829.37 -2127145.51 2100000.00 T= 14441.21 K progress 1.3 14 T -2367509.93 -2414523.05 -2152986.88 2200000.00 T= 14426.505 K progress 1.4 15 R -2368528.78 -2473510.88 -2195017.90 2300000.00 T= 14411.8 K progress 1.5 16 R -2721740.73 -2333023.24 -2088717.49 1700000.00 T= 14397.095 K progress 1.6 17 R -2730593.55 -2337191.33 -2093402.23 1700000.00 T= 14382.39 K progress 1.7 18 R -2724750.85 -2330156.66 -2094594.19 1700000.00 T= 14308.865 K progress 1.8 19 R -2712507.99 -2320381.66 -2092126.33 1700000.00 T= 14279.455 K progress 1.9 20 T -3231496.73 -2397975.59 -2133521.14 1300000.00 T= 14250.045 K progress 2.0 21 R -3249712.73 -2408797.99 -2140914.73 1300000.00 T= 14176.52 K progress 2.1 22 R -3240728.29 -2403798.38 -2136929.92 1300000.00 T= 14132.405 K progress 2.2 23 R -3246841.90 -2406926.34 -2139915.57 1300000.00 T= 14117.7 K progress 2.3 24 R -3534023.57 -2458260.61 -2175762.95 1100000.00 T= 14000.06 K progress 2.4 25 R -3531203.68 -2458720.52 -2172483.16 1100000.00 T= 13794.19 K progress 2.5 26 T -3030909.66 -2413590.63 -2117319.03 1500000.00 T= 13676.55 K progress 2.6 27 T -3231082.92 -2312883.40 -2018199.53 1100000.00 T= 13603.025 K progress 2.7 28 T -3588817.19 -2443685.35 -2145131.84 1000000.00 T= 13573.615 K progress 2.8 29 R -3387195.71 -2511996.80 -2175198.90 1300000.00 T= 13353.04 K progress 2.9 30 R -3407405.48 -2511510.09 -2195895.39 1300000.00 T= 13338.335 K progress 3.0 31 R -3362084.15 -2494566.52 -2167517.63 1300000.00 T= 13323.63 K progress 3.1 32 R -3426173.87 -2526033.98 -2200139.89 1300000.00 T= 13308.925 K progress 3.2 33 R -3737317.89 -2478576.50 -2158741.39 900000.00 T= 13235.4 K progress 3.3 34 R -3575030.84 -2445021.44 -2130009.39 1000000.00 T= 12897.185 K progress 3.4 35 R -3523737.75 -2423031.34 -2100706.41 1000000.00 T= 12794.25 K progress 3.5 36 R -3586685.08 -2450813.46 -2135871.61 1000000.00 T= 12764.84 K progress 3.6 37 R -3606789.07 -2457984.44 -2148804.62 1000000.00 T= 12603.085 K progress 3.7 38 R -3587574.21 -2446479.50 -2141094.71 1000000.00 T= 12279.575 K progress 3.8 39 R -3522256.32 -2426539.41 -2095716.91 1000000.00 T= 12073.705 K progress 3.9 40 R -3669623.55 -2602153.26 -2267470.29 1200000.00 T= 11985.475 K progress 4.0 41 T -3611778.42 -2542917.36 -2268861.07 1200000.00 T= 11426.685 K progress 4.1 42 R -3704491.18 -2540122.97 -2264368.21 1100000.00 T= 11338.455 K progress 4.2 43 T -3673393.91 -2541026.85 -2232367.06 1100000.00 T= 10853.19 K progress 4.3 44 R -3664099.76 -2530122.99 -2233976.77 1100000.00 T= 10794.37 K progress 4.4 45 T -3503526.58 -2432178.48 -2171348.09 1100000.00 T= 10779.665 K progress 4.5 46 R -3451665.83 -2470693.04 -2180972.79 1200000.00 T= 10353.22 K progress 4.6 47 R -3451743.82 -2467498.20 -2184245.62 1200000.00 T= 10323.81 K progress 4.7 48 R -3650104.33 -2500687.50 -2249416.83 1100000.00 T= 10309.105 K progress 4.8 49 R -3639399.74 -2494618.92 -2244780.82 1100000.00 T= 10250.285 K progress 4.9 50 R -3602556.25 -2500476.08 -2202080.17 1100000.00 T= 9823.84 K progress 5.0 51 R -3599077.40 -2498003.42 -2201073.98 1100000.00 T= 9720.905 K progress 5.1 52 R -3477888.62 -2493689.86 -2184198.77 1200000.00 T= 9706.2 K progress 5.2 53 R -3471966.34 -2486453.58 -2185512.75 1200000.00 T= 9676.79 K progress 5.3 54 R -3463426.61 -2449761.00 -2213665.61 1200000.00 T= 9632.675 K progress 5.4 55 R -3495067.94 -2472882.60 -2222185.34 1200000.00 T= 9470.92 K progress 5.5 56 R -3502466.24 -2481338.79 -2221127.45 1200000.00 T= 9426.805 K progress 5.6 57 T -3177193.99 -2487789.29 -2189404.70 1500000.00 T= 9412.1 K progress 5.7 58 R -3508678.78 -2614217.02 -2294461.76 1400000.00 T= 9397.395 K progress 5.8 59 T -3396325.89 -2445925.59 -2150400.30 1200000.00 T= 9323.87 K progress 5.9 60 R -3444608.05 -2463021.88 -2181586.17 1200000.00 T= 9309.165 K progress 6.0 61 R -3592567.31 -2485301.10 -2207266.21 1100000.00 T= 9265.05 K progress 6.1 62 R -3443268.74 -2458024.86 -2185243.88 1200000.00 T= 9220.935 K progress 6.2 63 R -3452442.06 -2465556.13 -2186885.94 1200000.00 T= 9191.525 K progress 6.3 64 T -3670591.14 -2520130.76 -2250460.38 1100000.00 T= 9132.705 K progress 6.4 65 R -3716240.58 -2545289.60 -2270950.98 1100000.00 T= 9059.18 K progress 6.5 66 R -3722954.58 -2548600.45 -2274354.13 1100000.00 T= 9015.065 K progress 6.6 67 R -3674872.39 -2532655.06 -2242217.33 1100000.00 T= 8897.425 K progress 6.7 68 T -3446489.95 -2523436.11 -2223053.84 1300000.00 T= 8823.9 K progress 6.8 69 R -3474021.65 -2545442.01 -2228579.64 1300000.00 T= 8794.49 K progress 6.9 70 R -3478695.29 -2550050.48 -2228644.81 1300000.00 T= 8779.785 K progress 7.0 71 R -3468690.08 -2455060.73 -2113629.35 1100000.00 T= 8750.375 K progress 7.1 72 R -3466106.56 -2539678.36 -2226428.20 1300000.00 T= 8691.555 K progress 7.2 73 R -3472008.69 -2586709.17 -2285299.52 1400000.00 T= 8632.735 K progress 7.3 74 T -2995401.79 -2426981.35 -2168420.44 1600000.00 T= 8588.62 K progress 7.4 75 R -2797914.65 -2447734.76 -2150179.89 1800000.00 T= 8559.21 K progress 7.5 76 T -2821375.98 -2325666.52 -2095709.46 1600000.00 T= 8544.505 K progress 7.6 77 T -2872815.86 -2313326.17 -2059489.69 1500000.00 T= 8485.685 K progress 7.7 78 T -2992831.77 -2281262.64 -2011569.13 1300000.00 T= 8441.57 K progress 7.8 79 R -3193969.08 -2348134.95 -2045834.14 1200000.00 T= 8426.865 K progress 7.9 80 R -3311016.34 -2354698.18 -2056318.16 1100000.00 T= 8382.75 K progress 8.0 81 T -3300222.57 -2404670.04 -2095552.53 1200000.00 T= 8323.93 K progress 8.1 82 T -3519375.33 -2411456.55 -2107918.78 1000000.00 T= 8250.405 K progress 8.2 83 T -3653967.67 -2536099.38 -2217868.29 1100000.00 T= 8118.06 K progress 8.3 84 T -3892791.98 -2607175.46 -2285616.52 1000000.00 T= 8029.83 K progress 8.4 85 R -3815810.78 -2619522.47 -2296288.31 1100000.00 T= 7691.615 K progress 8.5 86 R -4035353.50 -2633441.22 -2301912.28 900000.00 T= 7118.12 K progress 8.6 87 R -3923208.45 -2623553.35 -2299655.10 1000000.00 T= 5794.67 K progress 8.7 88 R -3923208.45 -2623553.35 -2299655.10 1000000.00 T= 5721.145 K progress 8.8 89 R -4023439.70 -2627761.71 -2295677.99 900000.00 T= 5574.095 K progress 8.9 Save no big msg save short traj msg save best.pdb msg save plot e_step.png