[gmx-users] charges

[David van der Spoel]

On 2012-04-02 20:29, R.Perez Garcia wrote:
> Dear GROMACS users,
> I would like to place the charge more localized in the "bonds region"
> and not exactly in the atoms.
> Please let me know if you know there is a way to do this in GROMACS.
> Thank you in advance, R
>
>
Yes, using virtual sites.
There's an expert group of gromacs users at the department of 
biophysical chemistry at your university, Marrink. You may want to talk 
to then.

-- 
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