[gmx-users] dipole moment

[Nilesh Dhumal]

I want to see the change in dipole moment alond the simulation.


NIlesh

On Wed, May 25, 2011 11:32 am, David van der Spoel wrote:
> 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 --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org. Can't post? Read
> http://www.gromacs.org/Support/Mailing_Lists
>
>
>