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
