[gmx-users] Non-biomolecular systems on Gromacs: incorporating a force field

Marin Djendjinovic marin at physics.unr.edu
Sat Oct 14 06:38:50 CEST 2006

Hi All,

I have couple of newbie questions that I hope someone will have
patience to answer.  I have some experience with MD
simulation and none with Gromacs.

I have been using Tinker package for about half a year, but I
find it a little unfriendly (not a very thorough manual and it's
written in Fortran which is not my cup of tea :)) 

I see that most of tutorials and explanations on Gromacs site are
related to proteins. Is there a reason Gromacs would not be a
good choice for other systems, such as silica, for example?

I would like to incorporate force field for silica in the
Gromacs. Now where do I start? What source files would I need to
modify? It's OK if you can't give me a detailed answer, but at least
a starting point, a little bit more then that flow chart on the
Gromacs website.

Thanks for your help.

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