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

Milton Taidi Sonoda msonoda at iqm.unicamp.br
Mon Jan 12 20:41:02 CET 2004

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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