start - parameters: File name /home/rpdock/web/media/jobs/795a27ca-c871-4545-b7aa-ece1f90ee580//ref_struc/na-prot_9956/na-prot_9956.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/795a27ca-c871-4545-b7aa-ece1f90ee580//ref_struc/na-prot_9956/na-prot_9956.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue DC1 in the chain A has not P atom 0 - -234238.82 -601094.70 -153144.12 520000.00 1 T -194727.24 -653376.01 -181351.23 640000.00 T= 15000.0 K progress 0.1 2 R -260402.38 -598448.28 -181954.10 520000.00 T= 14955.885 K progress 0.2 3 T -353287.25 -682982.37 -190304.88 520000.00 T= 14911.77 K progress 0.3 4 T -505855.56 -688117.51 -177738.06 360000.00 T= 14852.95 K progress 0.4 5 R -497119.04 -675224.07 -181894.97 360000.00 T= 14823.54 K progress 0.5 6 T -385649.62 -717322.87 -188326.75 520000.00 T= 14808.835 K progress 0.6 7 R -302977.91 -717585.09 -185392.82 600000.00 T= 14794.13 K progress 0.7 8 T -447681.53 -636395.49 -171286.05 360000.00 T= 14764.72 K progress 0.8 9 T -196211.24 -695539.13 -180672.11 680000.00 T= 14735.31 K progress 0.9 10 R -222294.51 -617039.28 -165255.23 560000.00 T= 14705.9 K progress 1.0 11 T -104527.63 -667223.86 -197303.77 760000.00 T= 14691.195 K progress 1.1 12 T -105788.56 -674204.53 -191584.04 760000.00 T= 14661.785 K progress 1.2 13 T -134506.95 -657125.14 -197381.80 720000.00 T= 14602.965 K progress 1.3 14 R -180795.23 -665550.95 -195244.29 680000.00 T= 14588.26 K progress 1.4 15 R -183949.39 -670409.45 -193539.93 680000.00 T= 14573.555 K progress 1.5 16 R -142343.29 -637972.82 -184370.47 680000.00 T= 14558.85 K progress 1.6 17 R -193614.40 -675011.31 -198603.09 680000.00 T= 14544.145 K progress 1.7 18 T -246074.46 -663340.58 -182733.88 600000.00 T= 14529.44 K progress 1.8 19 T -216675.10 -650579.37 -166095.73 600000.00 T= 14500.03 K progress 1.9 20 R -349256.33 -691955.62 -177300.71 520000.00 T= 14470.62 K progress 2.0 21 T -331370.99 -675934.73 -175436.26 520000.00 T= 14441.21 K progress 2.1 22 T -232574.47 -710534.18 -202040.29 680000.00 T= 14426.505 K progress 2.2 23 T -291280.97 -672284.02 -178996.95 560000.00 T= 14411.8 K progress 2.3 24 R -241599.35 -686186.24 -195413.11 640000.00 T= 14397.095 K progress 2.4 25 R -209227.80 -661414.91 -187812.89 640000.00 T= 14382.39 K progress 2.5 26 R -202870.76 -654298.60 -188572.16 640000.00 T= 14367.685 K progress 2.6 27 T -211548.69 -612806.45 -158742.24 560000.00 T= 14338.275 K progress 2.7 28 R -163189.32 -603343.32 -159846.00 600000.00 T= 14279.455 K progress 2.8 29 T -146389.47 -586287.26 -160102.21 600000.00 T= 14264.75 K progress 2.9 30 R -45437.87 -635178.25 -170259.61 760000.00 T= 14250.045 K progress 3.0 31 T -22201.03 -679808.02 -182393.01 840000.00 T= 14235.34 K progress 3.1 32 T -104102.09 -675964.53 -188137.56 760000.00 T= 14191.225 K progress 3.2 33 R -73460.59 -653601.30 -179859.29 760000.00 T= 14161.815 K progress 3.3 34 R -70119.15 -650259.86 -179859.29 760000.00 T= 14147.11 K progress 3.4 35 T -58188.11 -640430.17 -177757.94 760000.00 T= 14102.995 K progress 3.5 36 R -97669.94 -663397.42 -194272.52 760000.00 T= 14029.47 K progress 3.6 37 R -308667.30 -657591.42 -171075.87 520000.00 T= 13985.355 K progress 3.7 38 R -140234.78 -653184.01 -167050.77 680000.00 T= 13808.895 K progress 3.8 39 R -389152.35 -662581.44 -166570.91 440000.00 T= 13794.19 K progress 3.9 40 R -233619.63 -669803.29 -163816.34 600000.00 T= 13779.485 K progress 4.0 41 R -226036.36 -665564.72 -160471.64 600000.00 T= 13764.78 K progress 4.1 42 T -268657.86 -638874.32 -149783.54 520000.00 T= 13750.075 K progress 4.2 43 R -113981.28 -658319.07 -175662.20 720000.00 T= 13735.37 K progress 4.3 44 R -262410.94 -670190.46 -192220.48 600000.00 T= 13720.665 K progress 4.4 45 R -237293.19 -665175.10 -172118.10 600000.00 T= 13705.96 K progress 4.5 46 T -169104.77 -577145.91 -151958.87 560000.00 T= 13691.255 K progress 4.6 47 T -93769.07 -595207.18 -178561.89 680000.00 T= 13676.55 K progress 4.7 48 T -178709.71 -512958.81 -145750.90 480000.00 T= 13647.14 K progress 4.8 49 R -30011.96 -472224.21 -117787.75 560000.00 T= 13632.435 K progress 4.9 50 R -38692.48 -479238.83 -119453.65 560000.00 T= 13617.73 K progress 5.0 51 R -16563.96 -510813.06 -145750.90 640000.00 T= 13603.025 K progress 5.1 52 T -133486.78 -444316.11 -129170.67 440000.00 T= 13588.32 K progress 5.2 53 R -125717.26 -436546.59 -129170.67 440000.00 T= 13573.615 K progress 5.3 54 R -88479.69 -445966.12 -122513.57 480000.00 T= 13558.91 K progress 5.4 55 R -336181.81 -567130.54 -169051.27 400000.00 T= 13514.795 K progress 5.5 56 R -334146.90 -568542.88 -165604.02 400000.00 T= 13485.385 K progress 5.6 57 T -322596.18 -597544.90 -165051.28 440000.00 T= 13455.975 K progress 5.7 58 R -375308.15 -641983.00 -173325.15 440000.00 T= 13411.86 K progress 5.8 59 R -400245.67 -668228.54 -172017.13 440000.00 T= 13382.45 K progress 5.9 60 R -380375.37 -655755.66 -164619.71 440000.00 T= 13367.745 K progress 6.0 61 R -326322.07 -643625.26 -162696.81 480000.00 T= 13308.925 K progress 6.1 62 T -322144.10 -689476.83 -192667.27 560000.00 T= 13294.22 K progress 6.2 63 R -178146.85 -696369.63 -201777.21 720000.00 T= 13279.515 K progress 6.3 64 T -122622.88 -665657.40 -176965.48 720000.00 T= 13250.105 K progress 6.4 65 T 120694.28 -622207.91 -177097.80 920000.00 T= 13220.695 K progress 6.5 66 R -78875.14 -618797.43 -180077.72 720000.00 T= 13205.99 K progress 6.6 67 T -330509.34 -607362.73 -163146.61 440000.00 T= 13191.285 K progress 6.7 68 T -266742.99 -682390.28 -184352.72 600000.00 T= 13176.58 K progress 6.8 69 R -451547.06 -677692.44 -173854.61 400000.00 T= 13161.875 K progress 6.9 70 R -451005.84 -677139.24 -173866.61 400000.00 T= 13103.055 K progress 7.0 71 T -687831.72 -703002.18 -184829.54 200000.00 T= 13073.645 K progress 7.1 72 R -500846.40 -678033.19 -182813.22 360000.00 T= 13014.825 K progress 7.2 73 R -683144.76 -691165.10 -191979.66 200000.00 T= 12985.415 K progress 7.3 74 R -693719.34 -706073.73 -187645.62 200000.00 T= 12853.07 K progress 7.4 75 R -683556.48 -688493.35 -195063.13 200000.00 T= 12779.545 K progress 7.5 76 R -690871.24 -695527.72 -195343.52 200000.00 T= 12750.135 K progress 7.6 77 R -640744.71 -686782.56 -193962.15 240000.00 T= 12647.2 K progress 7.7 78 R -725618.22 -729953.82 -195664.41 200000.00 T= 12514.855 K progress 7.8 79 R -661291.38 -703080.07 -198211.31 240000.00 T= 12500.15 K progress 7.9 80 R -673819.37 -718630.01 -195189.37 240000.00 T= 12470.74 K progress 8.0 81 T -364176.24 -591742.40 -172433.84 400000.00 T= 12220.755 K progress 8.1 82 T -497989.84 -688619.05 -209370.79 400000.00 T= 12191.345 K progress 8.2 83 T -482869.10 -591607.96 -171261.14 280000.00 T= 12132.525 K progress 8.3 84 T -462697.37 -678539.50 -184157.87 400000.00 T= 12103.115 K progress 8.4 85 R -462145.20 -679213.60 -182931.60 400000.00 T= 12059.0 K progress 8.5 86 T -398452.91 -621424.39 -177028.52 400000.00 T= 12044.295 K progress 8.6 87 R -427819.75 -641301.13 -186518.62 400000.00 T= 12029.59 K progress 8.7 88 T -177449.38 -649091.52 -168357.86 640000.00 T= 11985.475 K progress 8.8 89 R -132325.36 -621463.61 -150861.75 640000.00 T= 11970.77 K progress 8.9 90 T -277181.48 -653404.17 -183777.31 560000.00 T= 11956.065 K progress 9.0 91 R -375491.74 -641970.90 -173520.84 440000.00 T= 11926.655 K progress 9.1 92 R -341246.53 -616781.74 -164464.78 440000.00 T= 11897.245 K progress 9.2 93 R -315186.66 -594228.94 -160957.72 440000.00 T= 11882.54 K progress 9.3 94 R -348684.03 -626569.73 -162114.29 440000.00 T= 11867.835 K progress 9.4 95 R -328623.51 -610835.09 -157788.42 440000.00 T= 11809.015 K progress 9.5 96 R -344723.43 -621252.11 -163471.32 440000.00 T= 11764.9 K progress 9.6 97 T -273918.37 -567694.22 -146224.16 440000.00 T= 11735.49 K progress 9.7 98 T -189426.55 -587063.23 -162363.33 560000.00 T= 11676.67 K progress 9.8 99 R -355041.88 -595674.38 -159367.50 400000.00 T= 11661.965 K progress 9.9 100 R -341319.35 -579370.16 -161949.19 400000.00 T= 11647.26 K progress 10.0 101 R -302424.85 -549036.55 -153388.30 400000.00 T= 11603.145 K progress 10.1 102 R -135850.70 -543947.63 -151903.06 560000.00 T= 11588.44 K progress 10.2 103 T -110946.52 -485374.16 -145572.36 520000.00 T= 11573.735 K progress 10.3 104 R -141244.53 -513512.76 -147731.77 520000.00 T= 11559.03 K progress 10.4 105 T -135216.05 -622400.64 -152815.41 640000.00 T= 11544.325 K progress 10.5 106 T -300739.69 -624616.08 -156123.60 480000.00 T= 11529.62 K progress 10.6 107 R -277552.42 -603697.70 -153854.71 480000.00 T= 11514.915 K progress 10.7 108 R -364249.66 -669384.01 -174865.65 480000.00 T= 11500.21 K progress 10.8 109 T -325298.22 -657202.57 -148095.66 480000.00 T= 11485.505 K progress 10.9 110 T -328678.80 -635870.76 -132808.04 440000.00 T= 11470.8 K progress 11.0 111 T -459332.90 -641971.12 -137361.78 320000.00 T= 11441.39 K progress 11.1 112 R -406631.53 -626481.71 -140149.82 360000.00 T= 11426.685 K progress 11.2 113 T -354412.01 -645866.30 -148545.71 440000.00 T= 11367.865 K progress 11.3 114 T -413173.05 -596047.95 -137125.10 320000.00 T= 11353.16 K progress 11.4 115 R -409809.30 -603264.22 -126545.08 320000.00 T= 11338.455 K progress 11.5 116 T -382775.29 -575109.29 -127666.00 320000.00 T= 11323.75 K progress 11.6 117 T -474687.26 -627170.73 -127516.53 280000.00 T= 11309.045 K progress 11.7 118 T -466720.44 -586600.64 -120119.80 240000.00 T= 11294.34 K progress 11.8 119 R -405572.46 -538938.95 -106633.51 240000.00 T= 11264.93 K progress 11.9 120 R -400814.20 -534363.46 -106450.74 240000.00 T= 11250.225 K progress 12.0 121 R -424960.14 -553399.23 -111560.91 240000.00 T= 11132.585 K progress 12.1 122 T -319316.09 -497059.29 -102256.80 280000.00 T= 11117.88 K progress 12.2 123 T -414616.60 -558984.08 -135632.51 280000.00 T= 11103.175 K progress 12.3 124 T -493959.10 -614063.19 -159895.91 280000.00 T= 11073.765 K progress 12.4 125 T -516883.53 -631831.41 -165052.12 280000.00 T= 11044.355 K progress 12.5 126 R -465208.94 -616981.36 -168227.58 320000.00 T= 11014.945 K progress 12.6 127 R -504535.05 -652316.61 -172218.45 320000.00 T= 11000.24 K progress 12.7 128 R -440918.47 -600960.84 -159957.64 320000.00 T= 10970.83 K progress 12.8 129 R -510737.08 -657122.95 -173614.14 320000.00 T= 10956.125 K progress 12.9 130 T -444842.10 -661557.81 -183284.29 400000.00 T= 10912.01 K progress 13.0 131 T -261428.88 -649494.76 -171934.11 560000.00 T= 10882.6 K progress 13.1 132 T -289470.96 -665062.19 -184408.78 560000.00 T= 10750.255 K progress 13.2 133 T -382015.02 -608332.82 -173682.19 400000.00 T= 10706.14 K progress 13.3 134 R -402712.56 -625781.92 -176930.64 400000.00 T= 10691.435 K progress 13.4 135 R -377070.85 -603647.76 -173423.09 400000.00 T= 10676.73 K progress 13.5 136 R -360964.03 -592847.97 -168116.06 400000.00 T= 10632.615 K progress 13.6 137 R -361385.73 -590900.10 -170485.64 400000.00 T= 10617.91 K progress 13.7 138 R -369933.92 -600804.05 -169129.87 400000.00 T= 10603.205 K progress 13.8 139 R -379877.18 -606201.45 -173675.73 400000.00 T= 10588.5 K progress 13.9 140 T -466124.04 -651769.80 -174354.24 360000.00 T= 10573.795 K progress 14.0 141 R -463491.99 -652328.31 -171163.68 360000.00 T= 10559.09 K progress 14.1 142 T -520645.31 -640084.76 -160560.55 280000.00 T= 10529.68 K progress 14.2 143 T -235386.74 -627151.62 -168235.12 560000.00 T= 10456.155 K progress 14.3 144 T -544080.53 -694259.79 -209820.74 360000.00 T= 10441.45 K progress 14.4 145 R -543281.96 -693586.20 -209695.75 360000.00 T= 10412.04 K progress 14.5 146 R -535317.10 -689150.37 -206166.74 360000.00 T= 10382.63 K progress 14.6 147 R -507966.37 -675268.80 -192697.57 360000.00 T= 10323.81 K progress 14.7 148 R -521091.08 -682796.16 -198294.92 360000.00 T= 10191.465 K progress 14.8 149 R -530272.48 -684826.95 -205445.53 360000.00 T= 10176.76 K progress 14.9 150 R -513782.88 -676902.74 -196880.15 360000.00 T= 10162.055 K progress 15.0 151 R -544703.00 -691920.17 -212782.83 360000.00 T= 10117.94 K progress 15.1 152 R -445611.16 -667851.56 -177759.60 400000.00 T= 10059.12 K progress 15.2 153 T -6782.16 -645045.92 -161736.24 800000.00 T= 10044.415 K progress 15.3 154 R -172392.97 -712188.89 -180204.08 720000.00 T= 10029.71 K progress 15.4 155 R -193075.64 -676847.03 -196228.61 680000.00 T= 9941.48 K progress 15.5 156 R -190226.50 -654488.22 -175738.29 640000.00 T= 9926.775 K progress 15.6 157 R -351311.22 -654402.98 -176908.24 480000.00 T= 9912.07 K progress 15.7 158 R -540569.48 -678270.18 -182299.30 320000.00 T= 9882.66 K progress 15.8 159 R -566149.56 -691342.47 -194807.10 320000.00 T= 9750.315 K progress 15.9 160 R -566149.56 -691342.47 -194807.10 320000.00 T= 9515.035 K progress 16.0 161 R -613407.30 -728386.44 -205020.86 320000.00 T= 9456.215 K progress 16.1 162 T -543786.65 -686867.22 -176919.43 320000.00 T= 9397.395 K progress 16.2 163 R -579915.21 -702076.97 -197838.24 320000.00 T= 9382.69 K progress 16.3 164 R -532929.24 -669205.92 -183723.33 320000.00 T= 9338.575 K progress 16.4 165 R -524594.02 -702277.68 -182316.34 360000.00 T= 9294.46 K progress 16.5 166 R -570658.62 -639680.01 -170978.61 240000.00 T= 9265.05 K progress 16.6 167 R -387496.74 -644679.32 -182817.42 440000.00 T= 9220.935 K progress 16.7 168 R -487960.42 -642192.50 -165767.92 320000.00 T= 9206.23 K progress 16.8 169 R -569003.26 -693025.29 -195977.97 320000.00 T= 9147.41 K progress 16.9 170 T -596134.31 -656453.55 -179680.76 240000.00 T= 9103.295 K progress 17.0 171 R -545549.11 -649094.66 -176454.46 280000.00 T= 9059.18 K progress 17.1 172 R -545549.11 -649094.66 -176454.46 280000.00 T= 9015.065 K progress 17.2 173 R -583308.84 -617001.91 -166306.93 200000.00 T= 9000.36 K progress 17.3 174 R -596134.31 -656453.55 -179680.76 240000.00 T= 8897.425 K progress 17.4 175 T -373069.35 -588080.51 -144988.84 360000.00 T= 8823.9 K progress 17.5 176 R -335145.24 -566625.97 -128519.27 360000.00 T= 8794.49 K progress 17.6 177 R -342979.02 -568031.03 -134947.98 360000.00 T= 8779.785 K progress 17.7 178 R -338482.00 -563089.34 -135392.65 360000.00 T= 8765.08 K progress 17.8 179 R -330291.15 -558241.65 -132049.50 360000.00 T= 8720.965 K progress 17.9 180 R -398466.40 -600701.48 -157764.92 360000.00 T= 8691.555 K progress 18.0 181 R -507815.12 -590424.00 -157391.12 240000.00 T= 8676.85 K progress 18.1 182 R -451770.18 -579639.44 -152130.74 280000.00 T= 8647.44 K progress 18.2 183 R -436615.63 -614537.77 -142077.87 320000.00 T= 8632.735 K progress 18.3 184 R -419190.39 -595480.01 -143710.39 320000.00 T= 8618.03 K progress 18.4 185 T -320730.20 -616313.91 -144416.29 440000.00 T= 8470.98 K progress 18.5 186 R -294485.05 -596685.03 -137800.02 440000.00 T= 8456.275 K progress 18.6 187 T -459727.24 -570852.16 -128875.08 240000.00 T= 8441.57 K progress 18.7 188 R -569669.68 -570763.47 -158906.21 160000.00 T= 8412.16 K progress 18.8 189 T -559621.03 -582839.99 -136781.04 160000.00 T= 8279.815 K progress 18.9 190 T -553293.46 -625782.45 -167511.01 240000.00 T= 7941.6 K progress 19.0 191 T -445673.31 -644992.38 -160680.93 360000.00 T= 7926.895 K progress 19.1 192 T -474269.91 -597566.08 -156703.82 280000.00 T= 7912.19 K progress 19.2 193 R -476843.31 -598762.42 -158080.89 280000.00 T= 7853.37 K progress 19.3 194 T -475141.78 -596539.61 -158602.16 280000.00 T= 7823.96 K progress 19.4 195 T -584131.24 -656285.81 -167845.43 240000.00 T= 7765.14 K progress 19.5 196 T -537427.94 -618421.74 -159006.20 240000.00 T= 7632.795 K progress 19.6 197 T -517458.46 -604440.32 -153018.14 240000.00 T= 7618.09 K progress 19.7 198 R -506950.65 -580901.56 -166049.09 240000.00 T= 7603.385 K progress 19.8 199 T -605114.19 -604895.01 -160219.18 160000.00 T= 7573.975 K progress 19.9 200 T -481629.93 -513995.37 -127634.55 160000.00 T= 7426.925 K progress 20.0 Long traj 201 T -348842.59 -528636.31 -140206.28 320000.00 T= 7191.645 K progress 20.1 202 R -413143.55 -486984.08 -126159.47 200000.00 T= 7176.94 K progress 20.2 203 T -416733.90 -481399.83 -135334.08 200000.00 T= 7162.235 K progress 20.3 204 R -395878.26 -464651.80 -131226.45 200000.00 T= 7103.415 K progress 20.4 205 R -369639.11 -430245.01 -99394.10 160000.00 T= 7088.71 K progress 20.5 206 R -307035.96 -366203.90 -100832.06 160000.00 T= 7059.3 K progress 20.6 207 R -254686.99 -351917.25 -102769.74 200000.00 T= 7044.595 K progress 20.7 208 T -489868.34 -484039.04 -125829.30 120000.00 T= 7029.89 K progress 20.8 209 R -438462.36 -460581.54 -137880.82 160000.00 T= 7015.185 K progress 20.9 210 R -435575.07 -458259.19 -137315.88 160000.00 T= 6985.775 K progress 21.0 211 T -442932.59 -499436.24 -143496.35 200000.00 T= 6971.07 K progress 21.1 212 R -389726.32 -424067.29 -125659.04 160000.00 T= 6956.365 K progress 21.2 213 R -393318.94 -456444.50 -136874.44 200000.00 T= 6941.66 K progress 21.3 214 R -414047.34 -479336.39 -134710.95 200000.00 T= 6926.955 K progress 21.4 215 R -456027.85 -513675.55 -142352.30 200000.00 T= 6809.315 K progress 21.5 216 T -379087.42 -404440.30 -134647.12 160000.00 T= 6765.2 K progress 21.6 217 R -378954.64 -408714.19 -130240.45 160000.00 T= 6735.79 K progress 21.7 218 T -448620.65 -488983.83 -119636.82 160000.00 T= 6721.085 K progress 21.8 219 R -446761.81 -487223.70 -119538.11 160000.00 T= 6676.97 K progress 21.9 220 R -472592.16 -508592.62 -123999.54 160000.00 T= 6632.855 K progress 22.0 221 R -473269.41 -507881.46 -125387.96 160000.00 T= 6618.15 K progress 22.1 222 R -451574.39 -518966.21 -132608.18 200000.00 T= 6588.74 K progress 22.2 223 T -499296.56 -525272.47 -134024.09 160000.00 T= 6574.035 K progress 22.3 224 T -526121.92 -555503.05 -130618.87 160000.00 T= 6559.33 K progress 22.4 225 R -529932.89 -558576.12 -131356.77 160000.00 T= 6515.215 K progress 22.5 226 R -527913.47 -563237.90 -124675.57 160000.00 T= 6309.345 K progress 22.6 227 R -577746.56 -576554.85 -161191.70 160000.00 T= 6294.64 K progress 22.7 228 R -565411.00 -571233.08 -154177.93 160000.00 T= 6132.885 K progress 22.8 229 R -564126.66 -570471.18 -153655.48 160000.00 T= 6074.065 K progress 22.9 230 R -564709.46 -570531.53 -154177.93 160000.00 T= 6044.655 K progress 23.0 231 R -548278.30 -556228.34 -152049.96 160000.00 T= 6029.95 K progress 23.1 232 R -537862.97 -552046.72 -145816.24 160000.00 T= 5956.425 K progress 23.2 233 R -537004.97 -548815.32 -148189.65 160000.00 T= 5941.72 K progress 23.3 234 R -537132.38 -548942.73 -148189.65 160000.00 T= 5897.605 K progress 23.4 235 R -531678.69 -546834.43 -144844.26 160000.00 T= 5794.67 K progress 23.5 236 T -497039.17 -577304.39 -159734.78 240000.00 T= 5750.555 K progress 23.6 237 T -495494.42 -584975.67 -150518.75 240000.00 T= 5647.62 K progress 23.7 238 R -494991.23 -584472.48 -150518.75 240000.00 T= 5618.21 K progress 23.8 239 R -519085.61 -603421.08 -155664.53 240000.00 T= 5588.8 K progress 23.9 240 R -523273.60 -611417.22 -151856.37 240000.00 T= 5574.095 K progress 24.0 241 R -569312.26 -614290.05 -155022.21 200000.00 T= 5500.57 K progress 24.1 242 R -531232.41 -615919.85 -155312.56 240000.00 T= 5485.865 K progress 24.2 243 R -551285.84 -595826.68 -155459.16 200000.00 T= 5412.34 K progress 24.3 244 T -574447.03 -590441.17 -144005.86 160000.00 T= 5338.815 K progress 24.4 245 R -545168.00 -593549.55 -151618.46 200000.00 T= 5294.7 K progress 24.5 246 R -540858.43 -587695.12 -153163.31 200000.00 T= 5221.175 K progress 24.6 247 R -575090.96 -584365.08 -150725.88 160000.00 T= 5177.06 K progress 24.7 248 R -593546.61 -603861.77 -149684.84 160000.00 T= 5118.24 K progress 24.8 249 R -522656.87 -596623.24 -166033.63 240000.00 T= 5044.715 K progress 24.9 250 R -574529.31 -589122.79 -145406.52 160000.00 T= 4897.665 K progress 25.0 251 R -518868.58 -592594.00 -166274.58 240000.00 T= 4794.73 K progress 25.1 252 R -506482.45 -610677.68 -175804.77 280000.00 T= 4735.91 K progress 25.2 253 R -576143.23 -590736.70 -145406.52 160000.00 T= 4721.205 K progress 25.3 254 R -578215.25 -594209.38 -144005.86 160000.00 T= 4647.68 K progress 25.4 255 R -589343.68 -602268.34 -147075.34 160000.00 T= 4618.27 K progress 25.5 256 R -575551.35 -584897.67 -150653.67 160000.00 T= 4427.105 K progress 25.6 257 R -512374.79 -561721.11 -150653.67 200000.00 T= 4397.695 K progress 25.7 258 R -570840.57 -586834.70 -144005.86 160000.00 T= 4368.285 K progress 25.8 259 T -509837.30 -498560.40 -131276.90 120000.00 T= 4324.17 K progress 25.9 260 T -486089.69 -479278.17 -126811.52 120000.00 T= 4309.465 K progress 26.0 261 R -469748.84 -504141.13 -125607.71 160000.00 T= 4265.35 K progress 26.1 262 R -469373.96 -503766.25 -125607.71 160000.00 T= 4250.645 K progress 26.2 263 R -427780.71 -464172.25 -123608.45 160000.00 T= 4235.94 K progress 26.3 264 R -438489.71 -470612.91 -127876.80 160000.00 T= 4191.825 K progress 26.4 265 T -540027.08 -553711.44 -146315.65 160000.00 T= 4177.12 K progress 26.5 266 R -546445.30 -558762.49 -147682.80 160000.00 T= 4118.3 K progress 26.6 267 R -565885.28 -581926.54 -143958.75 160000.00 T= 4088.89 K progress 26.7 268 R -554516.13 -571448.38 -143067.75 160000.00 T= 4044.775 K progress 26.8 269 R -542611.37 -557230.82 -145380.55 160000.00 T= 4015.365 K progress 26.9 270 R -548660.12 -574414.68 -134245.44 160000.00 T= 4000.66 K progress 27.0 271 R -573127.89 -598303.40 -134824.49 160000.00 T= 3927.135 K progress 27.1 272 R -569090.49 -586596.70 -142493.79 160000.00 T= 3853.61 K progress 27.2 273 R -594404.83 -614800.28 -139604.55 160000.00 T= 3750.675 K progress 27.3 274 T -542150.47 -545494.93 -156655.54 160000.00 T= 3735.97 K progress 27.4 275 R -577995.69 -587766.38 -150229.31 160000.00 T= 3706.56 K progress 27.5 276 R -576794.22 -581602.85 -155191.36 160000.00 T= 3647.74 K progress 27.6 277 R -527918.20 -551287.99 -136630.22 160000.00 T= 3633.035 K progress 27.7 278 R -496713.63 -525359.98 -131353.65 160000.00 T= 3530.1 K progress 27.8 279 R -518933.25 -543968.92 -134964.33 160000.00 T= 3515.395 K progress 27.9 280 R -493459.48 -529667.09 -123792.39 160000.00 T= 3456.575 K progress 28.0 281 R -508986.48 -541104.86 -127881.62 160000.00 T= 3441.87 K progress 28.1 282 T -495318.21 -686756.31 -168561.90 360000.00 T= 3427.165 K progress 28.2 283 R -563410.29 -675321.56 -168088.74 280000.00 T= 3397.755 K progress 28.3 284 R -610470.03 -648424.51 -162045.52 200000.00 T= 3294.82 K progress 28.4 285 R -635953.99 -669310.21 -166643.77 200000.00 T= 3280.115 K progress 28.5 286 T -647466.10 -678624.60 -168841.50 200000.00 T= 3250.705 K progress 28.6 287 R -642253.72 -679829.96 -162423.76 200000.00 T= 3015.425 K progress 28.7 288 R -650655.34 -681864.54 -168790.80 200000.00 T= 2986.015 K progress 28.8 289 R -643456.38 -677580.27 -165876.12 200000.00 T= 2956.605 K progress 28.9 290 R -546916.25 -602772.26 -144143.99 200000.00 T= 2838.965 K progress 29.0 291 R -592701.19 -608777.64 -143923.55 160000.00 T= 2824.26 K progress 29.1 292 R -594958.56 -609777.64 -145180.92 160000.00 T= 2809.555 K progress 29.2 293 R -594938.47 -609757.55 -145180.92 160000.00 T= 2780.145 K progress 29.3 294 R -571701.98 -614586.74 -157115.24 200000.00 T= 2721.325 K progress 29.4 295 R -586219.26 -635677.16 -150542.10 200000.00 T= 2706.62 K progress 29.5 296 R -585018.43 -634242.64 -150775.80 200000.00 T= 2691.915 K progress 29.6 297 T -582567.83 -603241.93 -139325.90 160000.00 T= 2677.21 K progress 29.7 298 R -590254.58 -606380.49 -143874.09 160000.00 T= 2647.8 K progress 29.8 299 R -601229.99 -614370.69 -146859.30 160000.00 T= 2500.75 K progress 29.9 300 R -598881.46 -612022.16 -146859.30 160000.00 T= 2471.34 K progress 30.0 301 T -593979.13 -634836.04 -159143.09 200000.00 T= 2427.225 K progress 30.1 302 R -612373.93 -655208.90 -157165.03 200000.00 T= 2206.65 K progress 30.2 303 R -580255.76 -626049.80 -154205.96 200000.00 T= 2074.305 K progress 30.3 304 R -580255.76 -626049.80 -154205.96 200000.00 T= 2015.485 K progress 30.4 305 R -578155.20 -625217.21 -152937.99 200000.00 T= 1971.37 K progress 30.5 306 R -594494.93 -637028.95 -157465.99 200000.00 T= 1883.14 K progress 30.6 307 R -595525.15 -643227.03 -152298.12 200000.00 T= 1868.435 K progress 30.7 308 T -660931.37 -691266.40 -169664.98 200000.00 T= 1839.025 K progress 30.8 309 R -660931.37 -691266.40 -169664.98 200000.00 T= 1794.91 K progress 30.9 310 R -692758.77 -709244.62 -183514.15 200000.00 T= 1368.465 K progress 31.0 311 R -690597.07 -707082.91 -183514.15 200000.00 T= 1221.415 K progress 31.1 312 R -694945.79 -711431.64 -183514.15 200000.00 T= 647.92 K progress 31.2 msg save long traj Save long msg save best.pdb msg save plot e_step.png