[gmx-users] atomselection for index group of cyclic rings

[Archana Sonawani-Jagtap]

Hi,

First make index file of the atoms involved in rings and then use following
command:
gmx distance -f .xtc -s .tpr -n .ndx -select 'cog of group " group 1" plus
cog of group "group2"' -oav .xvg

Hope this helps

Thanks
Archana


On Fri, Apr 17, 2020 at 10:25 AM Prasanth G, Research Scholar <
prasanthghanta at sssihl.edu.in> wrote:

> Dear all,
> I am interested in measuring the distance between two cyclic rings present
> in the residues and ligands over time. Can you kindly suggest how to go
> about this?
> Specially, if i am interested in measuring the distance between the center
> of the two rings over time. Thank you
>
> --
> Regards,
> Prasanth.
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