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.
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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