[gmx-users] Adding polarizability

[David van der Spoel]

David Mobley wrote:
> David,
> 
>> 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 
potentials etc?



-- 
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