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

[Paula González-Rubio]

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!
Paula


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

paula.grg at univ-paris-diderot.fr


******* NEW ADDRESS ******
Paula GONZALEZ-RUBIO
PhD Candidate
DSIMB INTS, INSERM UMR-S726
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