# 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 1.01 0.00 -5690.76 300.00 304.00 0.00 -1 2 0.99 0.00 -5690.76 304.00 300.00 2.00 -1 # exchange 2 1 -1.00 292.84 -5657.28 304.00 304.00 1.00 -1 2 -1.00 290.69 -5678.14 300.00 300.00 0.00 -1 # exchange 3 1 0.99 304.25 -5675.50 304.00 300.00 1.33 -1 2 1.01 297.54 -5680.45 300.00 304.00 0.00 -1 # exchange 4 1 1.01 304.49 -5683.47 300.00 304.00 0.50 -1 2 0.99 311.66 -5720.75 304.00 300.00 1.00 -1 # exchange 5 1 0.99 309.02 -5681.49 304.00 300.00 1.20 -1 2 1.01 298.30 -5710.91 300.00 304.00 0.40 -1