I know that the vibrational modes for the complex, receptor, and ligand can
be found in _MMPBSA_complex_nm.out, _MMPBSA_receptor_nm.out, and
_MMPBSA_ligand_nm.out, respectively, when running MMPBSA.py.
I hope that helps.
-Bill
On Fri, Mar 4, 2011 at 3:44 PM, zhihong ke <ebelleke.gmail.com> wrote:
> Dear all,
>
> Now I have the output file from the MMPBSA calculation.
> It is possible to identify each vibrational mode?
>
> Any help would be appreciated!
>
> Zhihong
>
> --
> Zhihong Ke
> University of Nex Mexico
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>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Mon Mar 07 2011 - 05:00:11 PST
