[gmx-users] Point Dipoles
David van der Spoel
spoel at xray.bmc.uu.se
Tue Oct 19 18:54:26 CEST 2010
On 2010-10-19 18.40, Donovan B.T. wrote:
> Is there a way to create pinned dipoles in Gromacs? I.e. to pin a point dipole to a molecule with an orientation? I've looked in the manual but find nothing or online. Also is there any provision for SSD [soft sticky dipole] water molecules?
No analytical dipoles. Would be nice to have.
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David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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