[gmx-users] dipole moment

[David van der Spoel]

On 2011-05-25 17.14, Nilesh Dhumal wrote:
> Hello,
>
> 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.
>
> Thanks
>
> Nilesh
>
>
>


-- 
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