On Thu, Nov 6, 2014 at 3:05 PM, Wong, Sook (NIH/NCATS) [V] <
sook.wong.nih.gov> wrote:
> Hi Aron,
>
> The python version is it using the MMPBSA.py method?
>
Yes. That is the version I know the best and the only one I really have
the time to help with issues.
There are a number of differences between mm_pbsa.pl and MMPBSA.py -- in
particular the input files for MMPBSA.py are the same Fortran
namelist-style input that sander and pmemd accept.
You are likely to find that MMPBSA.py receives more support from the
mailing list than the Perl version.
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Nov 06 2014 - 12:30:03 PST
