[gmx-users] Replica Exchange MD ... Exchange rates

[Carsten Baldauf]

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