Thanks Jason
On Tue, Nov 18, 2014 at 1:38 AM, Jason Swails <jason.swails.gmail.com>
wrote:
> On Tue, 2014-11-18 at 01:30 +0530, Sourav Purohit wrote:
> > Hi,
> > Does normal mode entropy calculation using MMPBSA.py give the normal mode
> > frequency values as an output??
>
> No, it just prints the entropies.
>
> > If yes then which file are the values
> > written to??
>
> You may be able to find them in some of the nmode intermediate files.
> Look for a files named _MMPBSA_complex_nm.out.# (and equivalently for
> the receptor and ligand). I believe you can find the frequencies in
> those files.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
>
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Received on Mon Nov 17 2014 - 12:30:03 PST
