Hi,
On Fri, Sep 13, 2013 at 9:28 AM, sudipta <sudipta.mml.gmail.com> wrote:
> Yes, you are right. I can able to convert DCD file to amber .mdcrd file.
> But I can't convert the .prmtop file from .psf and charm parameter files.
> As far as I know there is some limitation on MMPBSA program which uses only
> amber .prmtop file. If you have any idea how to do that please let me know.
Have you tried using 'chamber'? See the AmberTools 13 manual section 2.11.
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Fri Sep 13 2013 - 09:00:03 PDT
