[gmx-users] POL3 polarizable water model

David van der Spoel spoel at xray.bmc.uu.se
Tue Mar 25 19:17:34 CET 2008

Bo Zhou wrote:
> Dear Gromacs users,
> I wonder whether or not the POL3 polarizable water model (Caldwell JW,
> Kollman PA (1995) J Phys Chem 99: 6208-6219.) can be incorporated in gmx
> with amber03 force field. Thanks in advance.
IIRC this is a point polarizability model. This is not implemented. The 
recent Drude/Shell models by us and the Charmm crew do work.
> Best regards
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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

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