[gmx-users] RB Dihedrals with ffamber96 in Gromacs 4.5.3?

RJ Nowling rnowling at nd.edu
Tue Jan 11 16:50:46 CET 2011


Hi all,

This is my first time posting to the list, so please excuse any
ignorance on my part.  I'm preparing a few test systems using Gromacs
4.5.3 with the ffamber96 forcefield.  When I use gmxdump on the
resulting tprs, I see Proper Dihedrals but not RB Dihedrals.  Does
ffamber96 use RB Dihedrals and is it an expected result to not contain
RB Dihedrals?  For reference, I'm preparing DHFR and a ww mutant.

Thanks,
RJ



More information about the gromacs.org_gmx-users mailing list