[gmx-users] Adding polarizability
David van der Spoel
spoel at xray.bmc.uu.se
Wed Nov 21 21:06:57 CET 2007
David Mobley wrote:
>> As Mark answered there is no out of thebox polarizability. AFAIK there
>> is no complete force field like that in Amber either, only Tinker has one.
> Just to clarify here, AMBER has an implementation of AMOEBA, Jay
> Ponder's polarizable force field that is also implemented in Tinker.
> So yes, there is a polarizable force field in AMBER.
Interesting, does that include all the multipoles and buffered 7-14
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
More information about the gromacs.org_gmx-users