[gmx-users] question

jkrieger at mrc-lmb.cam.ac.uk jkrieger at mrc-lmb.cam.ac.uk
Tue Jan 21 09:27:06 CET 2014

I think g_select would be the best tool for this. It can output index groups containing this information for each frame. You can then write a script to count these and/or extract the group of all neighbours. I might try and write such a script myself in the next few days then I'll send it out.

On 21 Jan 2014, at 08:05, Andrew Bostick <andrew.bostick1 at gmail.com> wrote:

> Dear all
> I want to obtain number of atoms in a first group which are located in
> special distance of the second group.
> How to do this? Which tool of gromacs can do it? In fact, I want to obtain
> number of neighbours (NS).
> Any help will highly appreciated.
> -- 
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