[gmx-users] new molecule rtp and itp files?

muthu12 at cox.net muthu12 at cox.net
Mon Jan 12 23:23:00 CET 2004

plese use prodrg
> From: Milton Taidi Sonoda <msonoda at iqm.unicamp.br>
> Date: 2004/01/12 Mon PM 02:39:29 EST
> To: gmx-users at gromacs.org
> Subject: [gmx-users] new molecule rtp and itp files?
> Hi
> I'm new on GROMACS and I guess I have a very simple question.
> If I had to deal with am non-aminoacid new molecule with different
> forcefield parameters absent in the ffxxxbon.itp and ffxxxnb.itp files,
> do I had to put the new molecule structure in the ffxxx.rtp and
> in the same time construct a newmolecule.itp file to include in the
> topology file?
> Thank's in advance
> Milton Taidi Sonoda
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