start - parameters: File name /home/rpdock/web/media/jobs/f6f9702c-8193-4f6d-850f-79335bec5b3e//ref_struc/prot-na_10879/prot-na_10879.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/f6f9702c-8193-4f6d-850f-79335bec5b3e//ref_struc/prot-na_10879/prot-na_10879.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue G1 in the chain B has not P atom 0 - -2264745.00 -2303900.03 -2060844.97 2100000.00 1 R -2484970.78 -2246064.59 -2038906.20 1800000.00 T= 15000.0 K progress 0.1 2 R -2532617.29 -2265149.79 -2067467.51 1800000.00 T= 14985.295 K progress 0.2 3 R -2662736.94 -2291440.42 -2071296.52 1700000.00 T= 14941.18 K progress 0.3 4 R -2645798.31 -2276098.63 -2069699.69 1700000.00 T= 14897.065 K progress 0.4 5 R -2670248.31 -2144610.10 -2025638.21 1500000.00 T= 14852.95 K progress 0.5 6 R -2677401.16 -2144705.08 -2032696.08 1500000.00 T= 14779.425 K progress 0.6 7 R -2667125.66 -2141329.59 -2025796.07 1500000.00 T= 14735.31 K progress 0.7 8 T -2648405.89 -2259532.89 -2088873.00 1700000.00 T= 14720.605 K progress 0.8 9 R -2892471.60 -2332226.70 -2160244.90 1600000.00 T= 14705.9 K progress 0.9 10 R -2726987.84 -2301507.18 -2125480.65 1700000.00 T= 14691.195 K progress 1.0 11 T -2968614.13 -2277016.02 -2091598.11 1400000.00 T= 14676.49 K progress 1.1 12 R -2844178.73 -2257209.33 -2086969.40 1500000.00 T= 14647.08 K progress 1.2 13 R -2860855.36 -2164071.45 -1996783.91 1300000.00 T= 14632.375 K progress 1.3 14 R -2979440.17 -2216584.63 -2062855.54 1300000.00 T= 14617.67 K progress 1.4 15 R -2854703.51 -2160727.00 -1993976.50 1300000.00 T= 14485.325 K progress 1.5 16 R -2808521.00 -2239467.58 -2069053.42 1500000.00 T= 14367.685 K progress 1.6 17 R -2782493.70 -2224612.45 -2057881.25 1500000.00 T= 14323.57 K progress 1.7 18 T -2891950.86 -2225744.30 -2066206.56 1400000.00 T= 14308.865 K progress 1.8 19 R -2872456.80 -2219082.24 -2053374.57 1400000.00 T= 14235.34 K progress 1.9 20 T -3239646.90 -2311397.73 -2128249.17 1200000.00 T= 14176.52 K progress 2.0 21 R -3244753.40 -2319277.45 -2125475.95 1200000.00 T= 14088.29 K progress 2.1 22 T -3331146.40 -2351681.97 -2179464.43 1200000.00 T= 13867.715 K progress 2.2 23 R -3312929.14 -2338381.92 -2174547.23 1200000.00 T= 13426.565 K progress 2.3 24 R -3167651.96 -2321224.83 -2146427.13 1300000.00 T= 13411.86 K progress 2.4 25 T -3253629.07 -2330704.35 -2122924.71 1200000.00 T= 13161.875 K progress 2.5 26 R -3173541.71 -2329439.41 -2144102.30 1300000.00 T= 12441.33 K progress 2.6 27 R -3258819.52 -2329181.49 -2129638.02 1200000.00 T= 12220.755 K progress 2.7 28 R -3247888.01 -2328578.93 -2119309.08 1200000.00 T= 12176.64 K progress 2.8 29 R -3384017.11 -2345140.94 -2138876.17 1100000.00 T= 12132.525 K progress 2.9 30 R -3395724.08 -2353888.24 -2141835.84 1100000.00 T= 11970.77 K progress 3.0 31 R -3100189.78 -2307753.35 -2092436.43 1300000.00 T= 11500.21 K progress 3.1 32 T -3161621.17 -2345495.52 -2116125.65 1300000.00 T= 11235.52 K progress 3.2 33 R -3299723.84 -2359746.18 -2139977.66 1200000.00 T= 11117.88 K progress 3.3 34 R -3193055.80 -2357176.96 -2135878.84 1300000.00 T= 10823.78 K progress 3.4 35 R -3317570.27 -2374470.14 -2143100.14 1200000.00 T= 10750.255 K progress 3.5 36 R -3277370.69 -2357898.67 -2119472.01 1200000.00 T= 10500.27 K progress 3.6 37 R -3257313.47 -2345833.55 -2111479.92 1200000.00 T= 10426.745 K progress 3.7 38 R -3294576.67 -2360396.46 -2134180.21 1200000.00 T= 10382.63 K progress 3.8 39 R -3294807.26 -2359804.12 -2135003.15 1200000.00 T= 9867.955 K progress 3.9 40 R -3311917.77 -2369323.66 -2142594.11 1200000.00 T= 9529.74 K progress 4.0 41 R -3309203.14 -2366609.04 -2142594.11 1200000.00 T= 9500.33 K progress 4.1 42 R -3163055.14 -2348526.20 -2114528.94 1300000.00 T= 9073.885 K progress 4.2 43 R -3301416.74 -2361020.13 -2140396.61 1200000.00 T= 9059.18 K progress 4.3 44 R -3289330.93 -2357302.44 -2132028.49 1200000.00 T= 8779.785 K progress 4.4 45 T -3574636.78 -2441474.39 -2233162.39 1100000.00 T= 8735.67 K progress 4.5 46 T -3425514.90 -2353874.03 -2171640.87 1100000.00 T= 8118.06 K progress 4.6 47 R -3410182.96 -2349156.21 -2161026.76 1100000.00 T= 7794.55 K progress 4.7 48 R -3457076.55 -2369033.26 -2188043.29 1100000.00 T= 6103.475 K progress 4.8 49 R -3435629.67 -2354810.16 -2180819.52 1100000.00 T= 5647.62 K progress 4.9 50 R -3409186.33 -2352217.98 -2156968.35 1100000.00 T= 5618.21 K progress 5.0 51 R -3449415.07 -2361488.63 -2187926.44 1100000.00 T= 5471.16 K progress 5.1 52 R -3413359.76 -2344586.34 -2168773.43 1100000.00 T= 4809.435 K progress 5.2 53 R -3370250.25 -2334085.39 -2136164.86 1100000.00 T= 3588.92 K progress 5.3 54 R -3355528.33 -2333456.57 -2122071.76 1100000.00 T= 3500.69 K progress 5.4 55 R -3361750.49 -2335551.31 -2126199.18 1100000.00 T= 3147.77 K progress 5.5 56 R -3393105.76 -2334239.73 -2158866.04 1100000.00 T= 3000.72 K progress 5.6 57 R -3390734.02 -2339220.86 -2151513.16 1100000.00 T= 2809.555 K progress 5.7 58 R -3390122.52 -2346737.99 -2143384.53 1100000.00 T= 2780.145 K progress 5.8 59 R -3404136.85 -2345663.35 -2158473.51 1100000.00 T= 2280.175 K progress 5.9 60 R -3374522.18 -2336453.01 -2138069.17 1100000.00 T= 1368.465 K progress 6.0 61 R -3419137.80 -2351569.48 -2167568.32 1100000.00 T= 544.985 K progress 6.1 Save no big msg save short traj msg save best.pdb msg save plot e_step.png