On Mon, May 13, 2013, Maurizio CELENTANO wrote:
>
> I made a NPT MD simulation. Now I need to calculate the probability
> distribution of molecular conformers, how can I do it with amber 11
> package?
You might want to consider clustering the snapshots into a smaller number of
representative conformations. If that is not what you want, you need to be
more precise about what you mean by "probability distribution of molecular
conformers".
...dac
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Received on Mon May 13 2013 - 09:30:02 PDT
