[gmx-users] compatibility of MOPAC charges with GROMACS ?

David Mobley dmobley at gmail.com
Thu May 17 02:16:49 CEST 2007

> 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
> generated.

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.


More information about the gromacs.org_gmx-users mailing list