# Replica Exchange log file # numexchg is 2000 # REMD filenames: # remlog= 01/rem12.log # remtype= rem.type # Rep#, Velocity Scaling, T, Eptot, Temp0, NewTemp0, Success rate (i,i+1), ResStruct# # exchange 1 1 -1.00 0.00-341939.83 270.00 270.00 0.00 -1 2 -1.00 0.00-341246.53 271.79 271.79 0.00 -1 3 -1.00 0.00-340220.73 273.58 273.58 0.00 -1 4 -1.00 0.00-338834.25 277.19 277.19 0.00 -1 5 -1.00 0.00-338617.13 279.00 279.00 0.00 -1 6 -1.00 0.00-339424.48 275.38 275.38 0.00 -1 7 -1.00 0.00-337341.27 280.83 280.83 0.00 -1 8 -1.00 0.00-336515.89 282.66 282.66 0.00 -1 9 -1.00 0.00-335410.70 286.33 286.33 0.00 -1 10 -1.00 0.00-335679.75 284.50 284.50 0.00 -1 11 -1.00 0.00-334191.56 290.03 290.03 0.00 -1 12 -1.00 0.00-334448.46 288.18 288.18 0.00 -1 13 -1.00 0.00-332224.42 293.77 293.77 0.00 -1 14 -1.00 0.00-332919.77 291.90 291.90 0.00 -1 15 -1.00 0.00-330305.14 297.54 297.54 0.00 -1 16 -1.00 0.00-330038.03 299.43 299.43 0.00 -1 17 -1.00 0.00-331314.21 295.65 295.65 0.00 -1 18 -1.00 0.00-328628.96 303.25 303.25 0.00 -1 19 -1.00 0.00-329518.83 301.33 301.33 0.00 -1 20 -1.00 0.00-327652.79 305.17 305.17 0.00 -1 21 -1.00 0.00-326044.94 309.03 309.03 0.00 -1 22 -1.00 0.00-327104.78 307.10 307.10 0.00 -1 23 -1.00 0.00-325502.29 311.00 311.00 0.00 -1 24 -1.00 0.00-325058.06 312.95 312.95 0.00 -1 25 -1.00 0.00-324453.73 314.91 314.91 0.00 -1 26 -1.00 0.00-322801.50 318.86 318.86 0.00 -1 27 -1.00 0.00-323267.03 316.88 316.88 0.00 -1 28 -1.00 0.00-321690.45 320.84 320.84 0.00 -1 29 -1.00 0.00-320487.96 324.83 324.83 0.00 -1 30 -1.00 0.00-320973.77 322.83 322.83 0.00 -1 31 -1.00 0.00-319561.99 327.83 327.83 0.00 -1 32 -1.00 0.00-318273.72 329.84 329.84 0.00 -1 33 -1.00 0.00-317415.03 331.86 331.86 0.00 -1 34 -1.00 0.00-317141.46 333.87 333.87 0.00 -1 35 -1.00 0.00-316504.96 335.91 335.91 0.00 -1 36 -1.00 0.00-315403.59 337.95 337.95 0.00 -1 37 -1.00 0.00-313984.88 340.00 340.00 0.00 -1 38 -1.00 0.00-314001.96 342.03 342.03 0.00 -1 39 -1.00 0.00-312968.33 344.09 344.09 0.00 -1 40 -1.00 0.00-311969.20 346.18 346.18 0.00 -1 41 -1.00 0.00-311748.30 348.27 348.27 0.00 -1 42 -1.00 0.00-310547.26 350.38 350.38 0.00 -1 43 -1.00 0.00-309500.21 354.60 354.60 0.00 -1 44 -1.00 0.00-310061.51 352.48 352.48 0.00 -1 45 -1.00 0.00-308159.15 356.71 356.71 0.00 -1 46 -1.00 0.00-307323.71 358.85 358.85 0.00 -1 47 -1.00 0.00-306261.83 360.98 360.98 0.00 -1 48 1.00 0.00-305538.32 365.27 363.13 0.00 -1 49 1.00 0.00-305774.02 363.13 365.27 2.00 -1 50 -1.00 0.00-304446.49 367.44 367.44 0.00 -1 51 -1.00 0.00-303580.75 369.62 369.62 0.00 -1 52 -1.00 0.00-302244.38 371.80 371.80 0.00 -1 53 -1.00 0.00-301793.05 373.99 373.99 0.00 -1 54 -1.00 0.00-300050.34 378.40 378.40 0.00 -1 55 -1.00 0.00-300686.31 376.19 376.19 0.00 -1 56 -1.00 0.00-298633.66 382.83 382.83 0.00 -1 57 -1.00 0.00-299037.84 380.60 380.60 0.00 -1 58 -1.00 0.00-297602.95 385.07 385.07 0.00 -1 59 -1.00 0.00-297097.13 387.32 387.32 0.00 -1 60 -1.00 0.00-295696.59 389.57 389.57 0.00 -1 61 -1.00 0.00-294185.16 394.10 394.10 0.00 -1 62 -1.00 0.00-295040.09 391.83 391.83 0.00 -1 63 -1.00 0.00-293095.82 396.40 396.40 0.00 -1 64 -1.00 0.00-291950.69 398.69 398.69 0.00 -1 # exchange 2 1 -1.00 269.26-342306.43 270.00 270.00 0.00 -1 2 -1.00 272.21-341048.43 271.79 271.79 0.00 -1 3 -1.00 274.69-340051.87 273.58 273.58 0.00 -1 4 -1.00 276.96-338334.16 277.19 277.19 0.00 -1 5 -1.00 278.30-337988.40 279.00 279.00 0.00 -1 6 -1.00 276.84-338842.89 275.38 275.38 0.00 -1 7 -1.00 280.84-337310.58 280.83 280.83 0.00 -1 8 -1.00 282.73-336375.82 282.66 282.66 0.00 -1 9 -1.00 285.40-335574.56 286.33 286.33 0.00 -1 10 -1.00 284.81-335766.10 284.50 284.50 0.00 -1 11 -1.00 290.78-333770.14 290.03 290.03 0.00 -1 12 -1.00 289.74-334193.31 288.18 288.18 0.00 -1 13 -1.00 293.03-332326.05 293.77 293.77 0.00 -1 14 -1.00 293.01-332958.28 291.90 291.90 0.00 -1 15 -1.00 296.81-330615.99 297.54 297.54 0.00 -1 16 -1.00 299.43-330027.51 299.43 299.43 0.00 -1 17 -1.00 295.64-331623.34 295.65 295.65 0.00 -1 18 -1.00 302.92-328830.76 303.25 303.25 0.00 -1 19 -1.00 302.43-329375.00 301.33 301.33 0.00 -1 20 -1.00 307.12-327954.54 305.17 305.17 0.00 -1 21 -1.00 308.99-326536.52 309.03 309.03 0.00 -1 22 -1.00 307.41-326894.50 307.10 307.10 0.00 -1 23 -1.00 310.67-325859.49 311.00 311.00 0.00 -1 24 -1.00 315.60-325154.32 312.95 312.95 0.00 -1 25 -1.00 314.83-324317.62 314.91 314.91 0.00 -1 26 -1.00 317.09-322818.56 318.86 318.86 0.00 -1 27 -1.00 317.46-323806.18 316.88 316.88 0.00 -1 28 -1.00 319.00-321427.60 320.84 320.84 0.00 -1 29 -1.00 323.74-320557.32 324.83 324.83 0.00 -1 30 -1.00 322.70-320909.41 322.83 322.83 0.00 -1 31 -1.00 327.22-319241.97 327.83 327.83 0.00 -1 32 -1.00 326.80-318313.48 329.84 329.84 0.00 -1 33 -1.00 332.23-317187.23 331.86 331.86 0.00 -1 34 -1.00 334.69-316802.23 333.87 333.87 0.00 -1 35 -1.00 336.01-316055.81 335.91 335.91 0.00 -1 36 -1.00 339.41-315680.24 337.95 337.95 0.00 -1 37 -1.00 341.42-314552.59 340.00 340.00 0.00 -1 38 -1.00 342.34-313968.53 342.03 342.03 0.00 -1 39 -1.00 343.35-313221.69 344.09 344.09 0.00 -1 40 -1.00 347.51-312392.77 346.18 346.18 0.00 -1 41 -1.00 350.36-311403.52 348.27 348.27 0.00 -1 42 -1.00 351.70-311184.34 350.38 350.38 0.00 -1 43 1.00 356.63-309385.53 354.60 352.48 0.00 -1 44 1.00 352.56-309477.63 352.48 354.60 1.00 -1 45 -1.00 358.72-307918.68 356.71 356.71 0.00 -1 46 -1.00 359.77-307414.89 358.85 358.85 0.00 -1 47 -1.00 361.81-306491.12 360.98 360.98 0.00 -1 48 -1.00 362.49-305722.58 363.13 363.13 1.00 -1 49 -1.00 364.48-305314.64 365.27 365.27 0.00 -1 50 -1.00 365.85-303977.65 367.44 367.44 0.00 -1 51 -1.00 369.33-304026.56 369.62 369.62 0.00 -1 52 -1.00 370.43-302733.34 371.80 371.80 0.00 -1 53 -1.00 372.61-301975.78 373.99 373.99 0.00 -1 54 -1.00 376.56-300329.09 378.40 378.40 0.00 -1 55 -1.00 376.84-300648.94 376.19 376.19 0.00 -1 56 -1.00 381.42-298346.82 382.83 382.83 0.00 -1 57 -1.00 380.31-299418.41 380.60 380.60 0.00 -1 58 -1.00 386.29-297508.94 385.07 385.07 0.00 -1 59 -1.00 387.33-296306.96 387.32 387.32 0.00 -1 60 -1.00 389.26-296017.78 389.57 389.57 0.00 -1 61 1.00 394.84-294618.99 394.10 391.83 0.00 -1 62 1.00 391.42-294594.89 391.83 394.10 1.00 -1 63 -1.00 397.30-292366.61 396.40 396.40 0.00 -1 64 -1.00 399.70-292164.32 398.69 398.69 0.00 -1 # exchange 3 1 -1.00 269.90-342146.72 270.00 270.00 0.00 -1 2 -1.00 270.94-340900.71 271.79 271.79 0.00 -1 3 -1.00 273.55-340297.56 273.58 273.58 0.00 -1 4 -1.00 277.77-339102.61 277.19 277.19 0.00 -1 5 -1.00 278.18-337690.55 279.00 279.00 0.00 -1 6 -1.00 275.76-339357.82 275.38 275.38 0.00 -1 7 -1.00 281.56-337612.88 280.83 280.83 0.00 -1 8 -1.00 282.43-336515.11 282.66 282.66 0.00 -1 9 -1.00 285.60-335299.44 286.33 286.33 0.00 -1 10 -1.00 284.52-335931.09 284.50 284.50 0.00 -1 11 -1.00 290.76-334144.91 290.03 290.03 0.00 -1 12 -1.00 287.98-334318.68 288.18 288.18 0.00 -1 13 -1.00 293.90-332030.21 293.77 293.77 0.00 -1 14 -1.00 292.47-333143.85 291.90 291.90 0.00 -1 15 -1.00 297.42-330815.75 297.54 297.54 0.00 -1 16 -1.00 298.98-330063.65 299.43 299.43 0.00 -1 17 -1.00 295.65-331269.78 295.65 295.65 0.00 -1 18 -1.00 302.62-328766.84 303.25 303.25 0.00 -1 19 -1.00 302.16-329013.27 301.33 301.33 0.00 -1 20 -1.00 304.81-328015.06 305.17 305.17 0.00 -1 21 -1.00 309.47-326561.00 309.03 309.03 0.00 -1 22 -1.00 308.35-326861.26 307.10 307.10 0.00 -1 23 -1.00 312.13-325941.65 311.00 311.00 0.00 -1 24 -1.00 313.58-324620.86 312.95 312.95 0.00 -1 25 -1.00 315.29-324032.10 314.91 314.91 0.00 -1 26 -1.00 320.27-322712.70 318.86 318.86 0.00 -1 27 -1.00 315.98-323399.06 316.88 316.88 0.00 -1 28 -1.00 320.14-321957.03 320.84 320.84 0.00 -1 29 -1.00 326.32-320638.04 324.83 324.83 0.00 -1 30 -1.00 324.08-320898.21 322.83 322.83 0.00 -1 31 -1.00 325.81-319328.36 327.83 327.83 0.00 -1 32 -1.00 328.52-318345.07 329.84 329.84 0.00 -1 33 -1.00 332.43-317709.16 331.86 331.86 0.00 -1 34 -1.00 334.05-316753.92 333.87 333.87 0.00 -1 35 -1.00 334.57-316241.79 335.91 335.91 0.00 -1 36 -1.00 337.48-315568.89 337.95 337.95 0.00 -1 37 -1.00 340.23-314923.19 340.00 340.00 0.00 -1 38 -1.00 341.83-313741.52 342.03 342.03 0.00 -1 39 -1.00 344.94-313030.71 344.09 344.09 0.00 -1 40 -1.00 346.32-312477.42 346.18 346.18 0.00 -1 41 -1.00 348.28-311063.85 348.27 348.27 0.00 -1 42 -1.00 350.61-311342.73 350.38 350.38 0.00 -1 43 -1.00 352.66-309840.02 352.48 352.48 0.67 -1 44 -1.00 352.90-308980.00 354.60 354.60 0.00 -1 45 -1.00 357.60-308370.52 356.71 356.71 0.00 -1 46 -1.00 358.42-307226.67 358.85 358.85 0.00 -1 47 -1.00 360.40-306757.79 360.98 360.98 0.00 -1 48 -1.00 363.58-306021.63 363.13 363.13 0.67 -1 49 -1.00 364.43-305310.33 365.27 365.27 0.00 -1 50 -1.00 364.67-304296.42 367.44 367.44 0.00 -1 51 -1.00 371.13-303413.72 369.62 369.62 0.00 -1 52 -1.00 372.97-302699.65 371.80 371.80 0.00 -1 53 -1.00 375.99-301908.63 373.99 373.99 0.00 -1 54 -1.00 379.50-300397.17 378.40 378.40 0.00 -1 55 -1.00 375.22-300517.22 376.19 376.19 0.00 -1 56 -1.00 384.67-298283.09 382.83 382.83 0.00 -1 57 -1.00 379.70-299067.83 380.60 380.60 0.00 -1 58 -1.00 385.10-297483.37 385.07 385.07 0.00 -1 59 -1.00 389.48-296453.70 387.32 387.32 0.00 -1 60 1.00 388.47-295346.54 389.57 391.83 0.67 -1 61 1.00 392.56-295233.46 391.83 389.57 0.67 -1 62 -1.00 392.31-294149.58 394.10 394.10 0.00 -1 63 -1.00 396.68-293647.80 396.40 396.40 0.00 -1 64 -1.00 398.19-292042.62 398.69 398.69 0.00 -1 # exchange 4 1 -1.00 269.85-341415.15 270.00 270.00 0.00 -1 2 -1.00 270.27-340868.40 271.79 271.79 0.00 -1 3 -1.00 272.38-340065.45 273.58 273.58 0.00 -1 4 -1.00 277.55-338661.69 277.19 277.19 0.00 -1 5 -1.00 279.80-337861.23 279.00 279.00 0.00 -1 6 -1.00 274.28-339620.15 275.38 275.38 0.00 -1 7 -1.00 279.95-337428.50 280.83 280.83 0.00 -1 8 -1.00 281.87-336848.32 282.66 282.66 0.00 -1 9 -1.00 287.22-335235.91 286.33 286.33 0.00 -1 10 -1.00 285.16-335993.90 284.50 284.50 0.00 -1 11 -1.00 290.30-333893.79 290.03 290.03 0.00 -1 12 -1.00 288.62-334141.02 288.18 288.18 0.00 -1 13 -1.00 294.23-332450.24 293.77 293.77 0.00 -1 14 -1.00 291.32-332785.00 291.90 291.90 0.00 -1 15 -1.00 297.97-330863.14 297.54 297.54 0.00 -1 16 -1.00 299.10-329888.94 299.43 299.43 0.00 -1 17 -1.00 293.68-331596.09 295.65 295.65 0.00 -1 18 -1.00 302.49-328848.21 303.25 303.25 0.00 -1 19 -1.00 300.10-329506.97 301.33 301.33 0.00 -1 20 -1.00 304.96-327599.17 305.17 305.17 0.00 -1 21 -1.00 309.72-326285.66 309.03 309.03 0.00 -1 22 -1.00 306.69-326880.08 307.10 307.10 0.00 -1 23 -1.00 311.66-325332.98 311.00 311.00 0.00 -1 24 -1.00 312.83-324512.10 312.95 312.95 0.00 -1 25 -1.00 314.78-324179.38 314.91 314.91 0.00 -1 26 -1.00 319.07-322816.63 318.86 318.86 0.00 -1 27 -1.00 316.82-323315.84 316.88 316.88 0.00 -1 28 -1.00 321.60-321820.77 320.84 320.84 0.00 -1 29 -1.00 324.10-320643.66 324.83 324.83 0.00 -1 30 -1.00 321.53-321424.98 322.83 322.83 0.00 -1 31 -1.00 327.35-319396.10 327.83 327.83 0.00 -1 32 -1.00 330.01-318321.04 329.84 329.84 0.00 -1 33 -1.00 332.51-317716.38 331.86 331.86 0.00 -1 34 -1.00 333.02-317054.80 333.87 333.87 0.00 -1 35 -1.00 335.95-316239.60 335.91 335.91 0.00 -1 36 -1.00 337.67-315503.17 337.95 337.95 0.00 -1 37 -1.00 340.28-314513.74 340.00 340.00 0.00 -1 38 -1.00 342.30-313836.65 342.03 342.03 0.00 -1 39 -1.00 343.89-313191.94 344.09 344.09 0.00 -1 40 -1.00 345.51-311940.93 346.18 346.18 0.00 -1 41 -1.00 348.88-311037.72 348.27 348.27 0.00 -1 42 -1.00 351.31-310923.58 350.38 350.38 0.00 -1 43 -1.00 353.52-310313.69 352.48 352.48 0.50 -1 44 -1.00 356.35-309079.47 354.60 354.60 0.00 -1 45 -1.00 357.79-308161.36 356.71 356.71 0.00 -1 46 -1.00 357.02-307381.76 358.85 358.85 0.00 -1 47 -1.00 361.10-306398.57 360.98 360.98 0.00 -1 48 -1.00 363.16-305809.79 363.13 363.13 0.50 -1 49 -1.00 364.35-305091.20 365.27 365.27 0.00 -1 50 -1.00 368.76-304066.56 367.44 367.44 0.00 -1 51 -1.00 370.12-303653.43 369.62 369.62 0.00 -1 52 -1.00 373.28-302330.13 371.80 371.80 0.00 -1 53 -1.00 372.64-302037.45 373.99 373.99 0.00 -1 54 -1.00 378.24-300613.21 378.40 378.40 0.00 -1 55 -1.00 373.79-300252.43 376.19 376.19 0.00 -1 56 -1.00 383.32-298621.54 382.83 382.83 0.00 -1 57 -1.00 381.75-298690.13 380.60 380.60 0.00 -1 58 -1.00 386.20-297582.77 385.07 385.07 0.00 -1 59 -1.00 387.11-296939.54 387.32 387.32 0.00 -1 60 -1.00 393.48-295028.45 391.83 391.83 0.50 -1 61 -1.00 391.09-295518.04 389.57 389.57 0.50 -1 62 -1.00 392.65-294203.21 394.10 394.10 0.00 -1 63 -1.00 396.68-293462.63 396.40 396.40 0.00 -1 64 -1.00 400.54-292928.91 398.69 398.69 0.00 -1 # exchange 5 1 -1.00 268.77-341780.94 270.00 270.00 0.00 -1 2 -1.00 272.26-340843.77 271.79 271.79 0.00 -1 3 -1.00 272.66-340434.25 273.58 273.58 0.00 -1 4 -1.00 275.95-338595.24 277.19 277.19 0.00 -1 5 -1.00 280.89-338293.90 279.00 279.00 0.00 -1 6 -1.00 275.63-339295.99 275.38 275.38 0.00 -1 7 -1.00 280.73-337416.98 280.83 280.83 0.00 -1 8 -1.00 283.04-336673.74 282.66 282.66 0.00 -1 9 -1.00 286.67-335537.93 286.33 286.33 0.00 -1 10 -1.00 283.57-336131.52 284.50 284.50 0.00 -1 11 -1.00 291.63-333598.25 290.03 290.03 0.00 -1 12 -1.00 289.14-334472.13 288.18 288.18 0.00 -1 13 -1.00 292.17-332636.27 293.77 293.77 0.00 -1 14 -1.00 291.01-332938.65 291.90 291.90 0.00 -1 15 -1.00 296.52-330978.96 297.54 297.54 0.00 -1 16 -1.00 299.75-329935.03 299.43 299.43 0.00 -1 17 -1.00 295.92-331768.47 295.65 295.65 0.00 -1 18 -1.00 302.43-328767.83 303.25 303.25 0.00 -1 19 -1.00 301.63-329370.12 301.33 301.33 0.00 -1 20 -1.00 306.56-328008.46 305.17 305.17 0.00 -1 21 -1.00 307.84-326429.68 309.03 309.03 0.00 -1 22 -1.00 306.31-327060.37 307.10 307.10 0.00 -1 23 -1.00 311.07-326011.52 311.00 311.00 0.00 -1 24 -1.00 311.90-325066.44 312.95 312.95 0.00 -1 25 -1.00 313.55-324019.50 314.91 314.91 0.00 -1 26 -1.00 317.78-322976.76 318.86 318.86 0.00 -1 27 -1.00 317.78-323333.34 316.88 316.88 0.00 -1 28 -1.00 319.45-321987.55 320.84 320.84 0.00 -1 29 -1.00 325.39-320084.94 324.83 324.83 0.00 -1 30 -1.00 323.58-320751.45 322.83 322.83 0.00 -1 31 -1.00 327.09-319204.56 327.83 327.83 0.00 -1 32 -1.00 330.83-318406.78 329.84 329.84 0.00 -1 33 -1.00 334.08-317619.04 331.86 331.86 0.00 -1 34 -1.00 334.46-317052.44 333.87 333.87 0.00 -1 35 -1.00 335.32-316391.83 335.91 335.91 0.00 -1 36 -1.00 336.96-315237.10 337.95 337.95 0.00 -1 37 -1.00 339.29-314778.01 340.00 340.00 0.00 -1 38 -1.00 343.02-313426.36 342.03 342.03 0.00 -1 39 -1.00 344.80-313158.29 344.09 344.09 0.00 -1 40 -1.00 345.29-312244.86 346.18 346.18 0.00 -1 41 -1.00 347.81-311400.71 348.27 348.27 0.00 -1 42 -1.00 349.68-311120.84 350.38 350.38 0.00 -1 43 -1.00 352.08-310000.42 352.48 352.48 0.40 -1 44 -1.00 353.50-308993.95 354.60 354.60 0.00 -1 45 -1.00 355.78-308198.70 356.71 356.71 0.00 -1 46 -1.00 357.26-307334.27 358.85 358.85 0.00 -1 47 -1.00 360.73-306335.04 360.98 360.98 0.00 -1 48 -1.00 363.00-305533.20 363.13 363.13 0.40 -1 49 -1.00 368.20-304917.60 365.27 365.27 0.00 -1 50 -1.00 366.00-303855.12 367.44 367.44 0.00 -1 51 -1.00 372.13-303690.13 369.62 369.62 0.00 -1 52 -1.00 373.27-302724.06 371.80 371.80 0.00 -1 53 -1.00 376.03-301042.03 373.99 373.99 0.00 -1 54 1.00 378.33-301000.39 378.40 376.19 0.00 -1 55 1.00 378.26-300858.79 376.19 378.40 0.40 -1 56 1.00 382.77-298557.46 382.83 380.60 0.00 -1 57 1.00 382.76-298505.49 380.60 382.83 0.40 -1 58 -1.00 387.28-296994.27 385.07 385.07 0.00 -1 59 -1.00 386.84-296437.30 387.32 387.32 0.00 -1 60 1.00 392.29-294984.65 391.83 389.57 0.40 -1 61 1.00 388.82-295237.74 389.57 391.83 0.80 -1 62 -1.00 394.19-294303.51 394.10 394.10 0.00 -1 63 -1.00 397.35-292439.05 396.40 396.40 0.00 -1 64 -1.00 400.68-292255.26 398.69 398.69 0.00 -1