[gmx-users] how many contacts has a certain atom at MD

[XAvier Periole]

g_dist
On Feb 21, 2011, at 11:32 AM, Olga Ivchenko wrote:

> Dear Gromacs Users,
>
> I would like to know if there is in gromacs an option how to  
> calculate how many contacts has a certain atom i(n a molecules of  
> interest) with water during the whole MD simulations (or at each  
> step of MD).
> Please could you advice me on this?
>
> best,
> Olga
>
> -- 
> 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