[gmx-users] gromacs use

CORINA BARBU cmb411 at psu.edu
Fri Oct 3 22:29:00 CEST 2003


My name is Corina Barbu and I'm looking for a code useful to do Molecular
Dynamics on a ~150 atoms organic molecule. I have a synthetic molecular motor
made of very many benzene rings(and some other atoms as:O,N,S and Si). As far
as I know GROMACS is made for biomolecules(as far as the implemented force
fields are concerned). I was still thinking if it still worth it to try it. I
wonder in what extent is suitable for my system. Maybe you have suggestions for
some other codes also (I need a combination of a MM force field and possibility
of doing MD in the presence of an external electric field).
Thank you very much! Corina 

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