[gmx-users] Replica exchange probabilities and extend simulation

[hind ahmed]

Dear All,

 Are these probabilities good? and how can I extend the simulation of replica-exchange?

Thanks

Replica exchange statistics
Repl  14999 attempts, 7500 odd, 7499 even
Repl  average probabilities:
Repl     0    1    2    3    4    5    6    7    8    9   10   11   12   13   14   15   16   17   18   19   20   21   22   23   24   25   26   27   28   29   30   31
Repl      .03  .04  .04  .04  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .02  .02  .02  .01  .02  .02  .02  .02  .02
Repl  number of exchanges:
Repl     0    1    2    3    4    5    6    7    8    9   10   11   12   13   14   15   16   17   18   19   20   21   22   23   24   25   26   27   28   29   30   31
Repl      259  263  270  330   62   57   63   58   65   67   71   74   89   87   88  103  100  103   98   98  114   93  132  127  149  111  117  126  129  124  145
Repl  average number of exchanges:
Repl     0    1    2    3    4    5    6    7    8    9   10   11   12   13   14   15   16   17   18   19   20   21   22   23   24   25   26   27   28   29   30   31
Repl      .03  .04  .04  .04  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .01  .02  .01  .02  .02  .02  .01  .02  .02  .02  .02  .02