[gmx-users] g_dipole ? =>salt-molecule => Does Gromacs consider counter ions?

[David van der Spoel]

On 2010-10-22 00.49, Chih-Ying Lin wrote:
> Hi
> When I issued the command g_dipole,
> the dialog poped out and asked me to select a group.
> 1. system
> 2. protein
> ....
> .....
> ....
> 11. solvent
> 12. the rest of the salt-molecule except its counter ion
> 13. counter ions (CL-)
> If I select #12, Gromacs will not consider counter ions to calculate the
> dipole moment ???
> Thank you
> Lin
>
you should try to understand what is going on yourself rather than 
sending many email to the mailing list. Please read the source code of 
the program.

-- 
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