[gmx-users] How to use AMBER99sb and GAFF force fields for different parts of ONE molecule?
schlesi at uni-mainz.de
Fri Dec 20 20:39:30 CET 2013
I have found that the GAFF force field is used in concert with the AMBER
fore fields. Since both force fields use the same [ defaults ] section
in the forcefield.itp files, I think GROMACS can come up with nonbonded
parameters between these force field.
But since both force fields use different names for the atomtypes, I
have no idea how GROMACS could come up with bonded parameters between
both force fields (I want to describe a dye molecule attached to a RNA
More information about the gromacs.org_gmx-users