[gmx-users] compatibility of MOPAC charges with GROMACS ?
Marc F. Lensink
lensink at scmbb.ulb.ac.be
Thu May 17 10:16:46 CEST 2007
On Wed, May 16, 2007 at 05:16:49PM -0700, David Mobley wrote:
> >So what you really need to do, once you have worked out which forcfield
> >you are going to use, go back to the documentation / papers for that
> >particular forcefield, see how they generated the parameters, then use
> >that same procedure for the new parameters / molecules you want to
> Strangely enough, I recall writing almost exactly the same thing in
> response to a different user yesterday or the day before.
> It will sure be nice when the Wiki is working, then we only have to
> answer this once.
..and RTFW will replace RTFM..
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