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.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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