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

[Olga Ivchenko]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110221/39de79c8/attachment.html>