# Replica Exchange log file # numexchg is 10 # REMD filenames: # remlog= rem.log # remtype= rem.type # Rep#, Velocity Scaling, T, Eptot, Temp0, NewTemp0, Success rate (i,i+1), ResStruct# # exchange 1 1 0.98 0.00 -10152.55 320.00 310.00 0.00 -1 2 -1.00 0.00 -10313.68 300.00 300.00 0.00 -1 3 -1.00 0.00 -10131.41 330.00 330.00 0.00 -1 4 1.02 0.00 -10184.84 310.00 320.00 2.00 -1 # exchange 2 1 -1.00 301.72 -10145.32 310.00 310.00 1.00 -1 2 -1.00 294.24 -10320.63 300.00 300.00 0.00 -1 3 -1.00 310.03 -10095.05 330.00 330.00 0.00 -1 4 -1.00 307.86 -10204.88 320.00 320.00 0.00 -1 # exchange 3 1 1.02 305.56 -10176.68 310.00 320.00 1.33 -1 2 -1.00 291.08 -10289.75 300.00 300.00 0.00 -1 3 -1.00 304.61 -10071.59 330.00 330.00 0.00 -1 4 0.98 301.88 -10134.00 320.00 310.00 0.00 -1 # exchange 4 1 -1.00 317.16 -10151.77 320.00 320.00 0.00 -1 2 -1.00 285.30 -10256.72 300.00 300.00 0.00 -1 3 -1.00 311.68 -10078.78 330.00 330.00 0.00 -1 4 -1.00 291.64 -10161.56 310.00 310.00 1.00 -1 # exchange 5 1 0.98 311.79 -10136.98 320.00 310.00 0.00 -1 2 -1.00 290.08 -10297.77 300.00 300.00 0.00 -1 3 -1.00 307.52 -10056.02 330.00 330.00 0.00 -1 4 1.02 291.89 -10153.65 310.00 320.00 1.20 -1 # exchange 6 1 -1.00 301.97 -10135.63 310.00 310.00 1.00 -1 2 -1.00 287.55 -10263.47 300.00 300.00 0.00 -1 3 -1.00 313.30 -10088.42 330.00 330.00 0.00 -1 4 -1.00 301.45 -10147.92 320.00 320.00 0.00 -1 # exchange 7 1 1.02 302.89 -10136.15 310.00 320.00 1.14 -1 2 -1.00 283.83 -10242.22 300.00 300.00 0.00 -1 3 -1.00 314.30 -10078.60 330.00 330.00 0.00 -1 4 0.98 299.59 -10162.92 320.00 310.00 0.00 -1 # exchange 8 1 1.02 300.64 -10065.62 320.00 330.00 0.25 -1 2 -1.00 284.19 -10236.84 300.00 300.00 0.00 -1 3 0.98 310.45 -10041.82 330.00 320.00 0.00 -1 4 -1.00 297.20 -10185.39 310.00 310.00 1.00 -1 # exchange 9 1 -1.00 304.87 -10039.82 330.00 330.00 0.00 -1 2 -1.00 288.73 -10266.65 300.00 300.00 0.00 -1 3 -1.00 306.36 -10109.16 320.00 320.00 0.22 -1 4 -1.00 291.97 -10171.68 310.00 310.00 0.89 -1 # exchange 10 1 -1.00 303.90 -10052.94 330.00 330.00 0.00 -1 2 -1.00 285.11 -10226.99 300.00 300.00 0.00 -1 3 -1.00 308.23 -10086.26 320.00 320.00 0.20 -1 4 -1.00 295.32 -10189.25 310.00 310.00 0.80 -1