NAMD & Gromacs FF

From: Mauricio Carrillo Tripp (
Date: Thu Sep 01 2005 - 16:21:50 CDT

Simple question: Is it really possible to use Gromacs Force Field within
I just need to know if this is true so all the time and effort I put to make
it work
are not in vain.

BTW, if somebody has some simple guidelines or pointers on how to use NAMD
with the
Gromacs files (top, itp), in addition to what's already barely described in
the user's
guide, and how to generate psf files from these will be much appreciated (I
don't think
psfgen can use the grotopfile command. I also tried the Perl script top2psf
with no luck).


Mauricio Carrillo Tripp, PhD
Department of Chemistry
Wabash College

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