Hi, gmx gangle is your friend http://manual.gromacs.org/documentation/current/onlinehelp/gmx-gangle.html, probably along with http://manual.gromacs.org/documentation/current/onlinehelp/selections.html#selection-examples .
Something like gmx gangle -g1 angle -group1 "cog of group 1 plus cog of group 2 plus cog of group 3" -n index.ndx -f traj.xtc is probably on the right track. Mark On Wed., 5 Jun. 2019, 15:46 Monia Kamly, <[email protected]> wrote: > Hello GROMACS users, > > > I would appreciate it if someone could help me with the following question. > Instead of calculationg the angle between three atoms , I'd like to > calculate an angle between the center of geometry of each of three groups > of atoms, I've looked at the options gmx angle and I didn't find one like > in gmx distance -select. > Any help is appreciated. > > > -- > *Monia KAMLY* > -- > 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 [email protected]. > -- 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 [email protected].
