On Mon, May 13, 2013, Maurizio CELENTANO wrote:
>
> I'll try to be more accurate. Considering each conformation as a
> "microstate s", I want to calculate the probability that the system
> occupies the state s corresponding to the conformation s. I can do it
> with amber 11?
In molecular dynamics, all conformations (snapshots) have equal probability
with in the ensemble you are using. So each snapshot has probability 1/N,
where N is the number of snapshots.
(I doubt that this is what you really want...but at least the answer doesn't
depend on which version of Amber you have!)
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 13 2013 - 13:30:02 PDT
