Hello,
Glancing at the code, it appears not (make_crd_hg.f makes no use of netCDF
functions at all). MMPBSA.py, however, uses ptraj to process trajectories,
so it can read netCDF files just fine, and can be used with either amber9 or
amber10 (but requires AmberTools 1.4 for entropy calculations and Amber11
for energy decomposition).
If you want to use mm_pbsa.pl, you will have to convert back to an ascii
mdcrd using ptraj I believe.
Good luck!
Jason
On Wed, May 26, 2010 at 9:36 AM, Sushil Mishra <sushilbioinfo.gmail.com>wrote:
> Hi,
> I just want to be sure that ..can mm_pbsa.pl of Amber9 or 10 read NETCDF
> format trajectory or not ?
>
> ...Sushil
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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 Wed May 26 2010 - 07:30:29 PDT
