Hello,
MMPBSA.py cannot do this yet, but will be able to in the future (in the form
of alanine scanning). mm_pbsa.pl can do this, I think (in the form of
alanine scanning), but I've never done it that way and couldn't say how.
Good luck,
Jason
On Sun, Jan 9, 2011 at 2:21 AM, Rilei Yu <yulaomao1983.yahoo.com.cn> wrote:
> Dear amber users,
>
> Currently, I want to calculate the mutational energies on the protein
> without binding ligands. Can MM-PBSA do this job? There is no problem to
> calculate the mutational energies binding ligands using MM-PBSA. But in some
> cases, people are really interested in calculation of the mutational
> energies of the protein to investigate the significance of some residues to
> the stability of the protein.
>
> Thanks for you help in advance!
>
> Rilei Yu
>
>
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Sun Jan 09 2011 - 05:00:02 PST
