start - parameters: File name /home/rpdock/web/media/jobs/12967bbf-65b9-49e9-b7a4-7793b1f8a860//ref_struc/na-prot_798/na-prot_798.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/12967bbf-65b9-49e9-b7a4-7793b1f8a860//ref_struc/na-prot_798/na-prot_798.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 - -1190116.84 -1859371.07 -1830745.77 2500000.00 1 R -1209651.14 -1898228.49 -1811422.65 2500000.00 T= 15000.0 K progress 0.1 2 R -1912465.97 -2249922.72 -2162543.25 2500000.00 T= 14985.295 K progress 0.2 3 T -1951266.27 -2185706.55 -2065559.72 2300000.00 T= 14955.885 K progress 0.3 4 R -1938430.62 -2180634.28 -2057796.35 2300000.00 T= 14911.77 K progress 0.4 5 R -2225381.95 -2498105.63 -2327276.33 2600000.00 T= 14882.36 K progress 0.5 6 R -2107695.37 -2426100.54 -2281594.83 2600000.00 T= 14867.655 K progress 0.6 7 R -2366776.89 -2275467.12 -2191309.78 2100000.00 T= 14852.95 K progress 0.7 8 T -2468371.83 -2324737.27 -2243634.55 2100000.00 T= 14808.835 K progress 0.8 9 R -2425172.71 -2237731.36 -2187441.35 2000000.00 T= 14750.015 K progress 0.9 10 R -2239395.52 -2119232.10 -2020163.42 1900000.00 T= 14691.195 K progress 1.0 11 R -2548877.86 -2260166.83 -2188711.04 1900000.00 T= 14676.49 K progress 1.1 12 R -2614564.90 -2286721.47 -2227843.43 1900000.00 T= 14617.67 K progress 1.2 13 R -2627482.58 -2426850.89 -2300631.69 2100000.00 T= 14544.145 K progress 1.3 14 R -2611738.75 -2414943.04 -2296795.71 2100000.00 T= 14294.16 K progress 1.4 15 R -2519430.22 -2291433.91 -2227996.31 2000000.00 T= 14176.52 K progress 1.5 16 R -2524980.59 -2294754.89 -2230225.71 2000000.00 T= 14161.815 K progress 1.6 17 T -2773149.48 -2239276.18 -2133873.30 1600000.00 T= 14147.11 K progress 1.7 18 R -2765689.66 -2238931.80 -2126757.86 1600000.00 T= 13955.945 K progress 1.8 19 R -2806439.76 -2258555.90 -2147883.86 1600000.00 T= 13941.24 K progress 1.9 20 R -2813938.29 -2260081.74 -2153856.54 1600000.00 T= 13617.73 K progress 2.0 21 R -2718689.03 -2206731.79 -2111957.25 1600000.00 T= 13544.205 K progress 2.1 22 T -2734503.55 -2127927.93 -2106575.62 1500000.00 T= 13353.04 K progress 2.2 23 R -2769549.44 -2149887.99 -2119661.44 1500000.00 T= 13308.925 K progress 2.3 24 R -2697434.04 -2115490.86 -2081943.19 1500000.00 T= 13103.055 K progress 2.4 25 R -2781288.86 -2114163.41 -2067125.45 1400000.00 T= 13073.645 K progress 2.5 26 R -2988137.20 -2314871.83 -2273265.37 1600000.00 T= 12838.365 K progress 2.6 27 R -3050190.76 -2294573.61 -2255617.14 1500000.00 T= 12411.92 K progress 2.7 28 R -3033856.58 -2337786.50 -2296070.08 1600000.00 T= 12397.215 K progress 2.8 29 R -2819898.58 -2181540.38 -2138358.20 1500000.00 T= 11750.195 K progress 2.9 30 R -2913870.62 -2328892.94 -2284977.68 1700000.00 T= 11353.16 K progress 3.0 31 T -2894509.52 -2342202.68 -2252306.84 1700000.00 T= 11264.93 K progress 3.1 32 R -2839525.24 -2368811.48 -2270713.77 1800000.00 T= 10882.6 K progress 3.2 33 R -2871255.00 -2169737.21 -2101517.79 1400000.00 T= 10838.485 K progress 3.3 34 R -3098478.82 -2234583.20 -2163895.62 1300000.00 T= 10632.615 K progress 3.4 35 R -3100610.01 -2235548.76 -2165061.25 1300000.00 T= 9970.89 K progress 3.5 36 R -3098478.82 -2234583.20 -2163895.62 1300000.00 T= 7426.925 K progress 3.6 37 R -3100610.01 -2235548.76 -2165061.25 1300000.00 T= 6118.18 K progress 3.7 38 R -3098478.82 -2234583.20 -2163895.62 1300000.00 T= 4074.185 K progress 3.8 39 R -3099395.61 -2233797.10 -2165598.50 1300000.00 T= 3250.705 K progress 3.9 40 R -3112062.58 -2240705.29 -2171357.29 1300000.00 T= 2191.945 K progress 4.0 Save no big msg save short traj msg save best.pdb msg save plot e_step.png