[gmx-users] which force field for a protein-protein complex?

Paula González-Rubio paula.grg at gmail.com
Fri Sep 5 15:06:21 CEST 2008

Hello there,

I would like to do a MD of a protein-protein complex (both with their
ligands) so I'm looking for some advise regarding the best force field for
simulate my system. For more details, it consists on a ADP-ribosylase (which
ligand is the NAD) and a small G protein (GDP binded), we want to see what
is the role of a loop in the formation of the complex and on the
ADP-ribosilation of the small G protein.

Does any one have a good idea of an appropiate force field for this kind of
systems ? Do you think gromos 43A1 or ffgmx could be an option?

Thanks a lot in advance!

-- !!!!! NEW email !!!!!!

paula.grg at univ-paris-diderot.fr

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