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