Re: [AMBER] MMPBSA.py normal mode analysis

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 17 Nov 2014 15:08:39 -0500

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
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