Re: [AMBER] How do I use for namd .dcd file?

From: Daniel Roe <>
Date: Fri, 13 Sep 2013 09:35:37 -0600


On Fri, Sep 13, 2013 at 9:28 AM, sudipta <> 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.


Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
(801) 587-9652
(801) 585-9119 (Fax)
AMBER mailing list
Received on Fri Sep 13 2013 - 09:00:03 PDT
Custom Search