[gmx-users] dipole moment

[David van der Spoel]

On 2011-05-25 17.36, Nilesh Dhumal wrote:
> I want to see the change in dipole moment alond the simulation.
g_dipoles -h

>
>
> 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
>>
>>
>>
>
>


-- 
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