# Replica Exchange log file # numexchg is 5 # HYBRID REMD: # using igb= 1 for exchange energies. # number of closest waters kept= 50 # REMD filenames: # remlog= rem.log # remtype= rem.type # Rep#, Velocity Scaling, T, Eptot, Temp0, NewTemp0, Success rate (i,i+1), ResStruct# # exchange 1 1 1.05 0.00 -615.76 300.00 330.00 0.00 -1 2 0.95 0.00 -615.76 330.00 300.00 2.00 -1 # exchange 2 1 -1.00 306.08 -631.47 330.00 330.00 1.00 -1 2 -1.00 287.72 -633.87 300.00 300.00 0.00 -1 # exchange 3 1 0.95 315.10 -637.78 330.00 300.00 1.33 -1 2 1.05 293.53 -645.99 300.00 330.00 0.00 -1 # exchange 4 1 -1.00 305.10 -644.09 300.00 300.00 0.00 -1 2 -1.00 313.61 -618.81 330.00 330.00 1.00 -1 # exchange 5 1 1.05 307.41 -631.69 300.00 330.00 0.00 -1 2 0.95 323.83 -629.60 330.00 300.00 1.20 -1