ok. Thank you sir
On Mon, Mar 17, 2014 at 4:38 PM, Marcus Arieno <marieno.nd.edu> wrote:
> It depends. It can be useful to cluster your trajectories and compare
> binding energies among different clusters to decide what is an appropriate
> sampling.
>
> Marcus Arieno
>
> > On Mar 17, 2014, at 6:51 AM, Mary Varughese <maryvj1985.gmail.com>
> wrote:
> >
> > Hi,
> >
> > Does MMPBSA is calculated over the entire trajectory (neglecting
> > variations) or 3 to 5 ns of stable region?
> >
> > Thanking you
> >
> > --
> > Mary Varughese
> > Research Scholar
> > School of Pure and Applied Physics
> > Mahatma Gandhi University
> > India
> >
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Received on Mon Mar 17 2014 - 11:30:02 PDT
