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 <
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,
