[gmx-users] POL3 polarizable water model
darth.vasya at gmail.com
Tue Mar 25 19:15:44 CET 2008
I believe the manual says that only the shell-on-a-spring model is supported
by GROMACS for polarization. As far as I can recall, the POL3 model uses
atomic multipoles, so tough luck for you...
2008/3/25, Bo Zhou <zhoubo81 at gmail.com>:
> 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.
> Best regards
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