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 < prasanthgha...@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. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.