# Replica Exchange log file # numexchg is 10 # REMD filenames: # remlog= rem.log # remtype= rem.type # Rep#, Neibr#, Temp0, PotE(x_1), PotE(x_2), left_fe, right_fe, Success, Success rate (i,i+1) # exchange 1 1 4 300.00 -51.79 -51.79 14.52 0.00 T 0.00 2 3 300.00 -48.27 -48.27 0.00 4.94 T 2.00 3 2 300.00 -53.21 -53.21 -4.94 0.00 T 0.00 4 1 300.00 -66.31 -66.31 0.00 -14.52 T 2.00 # exchange 2 1 2 300.00 -48.91 -54.71 0.00 -3.31 T 1.00 2 1 300.00 -51.41 -45.60 3.31 0.00 T 1.00 3 4 300.00 -47.97 -52.94 0.00 13.49 T 1.00 4 3 300.00 -66.91 -61.46 -13.97 0.00 T 1.00 # exchange 3 1 4 300.00 -52.01 -51.81 14.50 0.00 F 0.67 2 3 300.00 -43.98 -46.86 0.00 4.95 F 0.67 3 2 300.00 -51.99 -48.94 -5.03 0.00 F 0.67 4 1 300.00 -67.88 -66.48 0.00 -14.89 F 0.67 # exchange 4 1 2 300.00 -46.00 -51.90 0.00 -3.38 F 0.50 2 1 300.00 -48.57 -42.53 3.32 0.00 F 0.50 3 4 300.00 -51.37 -50.81 0.00 13.31 F 0.50 4 3 300.00 -64.09 -64.42 -13.54 0.00 F 0.50 # exchange 5 1 4 300.00 -54.18 -58.06 14.29 0.00 F 0.40 2 3 300.00 -51.32 -56.11 0.00 5.23 T 0.80 3 2 300.00 -61.13 -56.89 -5.02 0.00 T 0.40 4 1 300.00 -73.49 -67.38 0.00 -15.02 F 0.40 # exchange 6 1 2 300.00 -54.52 -50.32 0.00 -3.32 T 0.67 2 1 300.00 -46.78 -51.32 3.40 0.00 T 0.67 3 4 300.00 -58.88 -53.46 0.00 13.67 T 0.67 4 3 300.00 -67.70 -72.94 -13.69 0.00 T 0.33 # exchange 7 1 4 300.00 -54.47 -60.16 14.14 0.00 F 0.57 2 3 300.00 -45.98 -52.57 0.00 5.53 T 0.86 3 2 300.00 -58.19 -51.97 -5.13 0.00 T 0.57 4 1 300.00 -75.59 -67.29 0.00 -15.10 F 0.29 # exchange 8 1 2 300.00 -55.96 -59.71 0.00 -3.42 T 0.75 2 1 300.00 -56.25 -52.04 3.41 0.00 T 0.75 3 4 300.00 -53.75 -57.58 0.00 13.82 T 0.75 4 3 300.00 -71.04 -67.87 -13.62 0.00 T 0.25 # exchange 9 1 4 300.00 -55.11 -46.32 14.21 0.00 F 0.67 2 3 300.00 -57.41 -47.52 0.00 5.47 F 0.67 3 2 300.00 -52.79 -62.53 -5.15 0.00 F 0.67 4 1 300.00 -64.04 -69.56 0.00 -15.23 F 0.22 # exchange 10 1 2 300.00 -56.96 -51.61 0.00 -3.47 T 0.80 2 1 300.00 -48.44 -53.22 3.37 0.00 T 0.60 3 4 300.00 -58.53 -49.91 0.00 13.78 F 0.60 4 3 300.00 -64.61 -72.10 -13.73 0.00 F 0.20