dear gromacs-users//
what would you think are good exchange rates between the replicas in a REMD?
something like this?
Replica exchange statistics
Repl 499 attempts, 250 odd, 249 even
Repl average probabilities:
Repl 0 1 2 3 4 5 6 7 8 9 10 11 12
13 14 15
Repl .40 .48 .53 .55 .54 .56 .53 .57 .55 .58 .57 .60
.63 .61 .60
Repl number of exchanges:
Repl 0 1 2 3 4 5 6 7 8 9 10 11 12
13 14 15
Repl 101 133 131 136 137 142 125 147 142 137 141 151
168 152 153
Repl average number of exchanges:
Repl 0 1 2 3 4 5 6 7 8 9 10 11 12
13 14 15
Repl .40 .53 .52 .55 .55 .57 .50 .59 .57 .55 .56 .61
.67 .61 .61
or lower?
thanks in advance//
carsten
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