# Replica Exchange log file # numexchg is 5 # REMD filenames: # remlog= rem.log # remtype= rem.type # Rep#, Velocity Scaling, T, Eptot, Temp0, NewTemp0, Success rate (i,i+1), ResStruct# # exchange 1 1 1.15 0.00 -10.46 300.00 400.00 0.00 -1 2 1.04 0.00 -10.46 325.00 350.00 2.00 -1 3 0.96 0.00 -10.46 350.00 325.00 0.00 -1 4 0.87 0.00 -10.46 400.00 300.00 2.00 -1 # exchange 2 1 0.94 312.03 -6.81 400.00 350.00 1.00 -1 2 1.07 280.77 -3.95 350.00 400.00 1.00 -1 3 -1.00 247.11 -10.58 325.00 325.00 1.00 -1 4 -1.00 271.12 -14.15 300.00 300.00 0.00 -1 # exchange 3 1 0.96 305.31 -11.02 350.00 325.00 0.67 -1 2 0.87 288.89 -12.45 400.00 300.00 1.33 -1 3 1.04 290.99 -13.30 325.00 350.00 1.33 -1 4 1.15 256.19 -12.83 300.00 400.00 0.00 -1 # exchange 4 1 -1.00 292.39 -8.54 325.00 325.00 1.00 -1 2 -1.00 277.51 -16.68 300.00 300.00 0.00 -1 3 -1.00 280.57 -8.64 350.00 350.00 0.50 -1 4 -1.00 338.55 -4.31 400.00 400.00 1.00 -1 # exchange 5 1 1.04 285.59 -10.47 325.00 350.00 1.20 -1 2 -1.00 295.58 -7.40 300.00 300.00 0.00 -1 3 0.96 286.05 -4.15 350.00 325.00 0.40 -1 4 -1.00 308.91 6.48 400.00 400.00 0.80 -1