[gmx-users] dipole moment
David van der Spoel
spoel at xray.bmc.uu.se
Wed May 25 17:32:09 CEST 2011
On 2011-05-25 17.14, Nilesh Dhumal wrote:
> Can I calculate a dipole moment of a particular bond?
It is easier to do it manually. Otherwise g_dipoles with a suitable
index file would do it. The sum of charges has to be zero of course.
> I am using gromacs version 4.0.7.
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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