Dear Gromacs users I am calculating a dihedral angle between certain atoms by following command:-
gmx angle -type dihedral -f md_1000ps.xtc -n dihedral.ndx -ov group.xvg -of trans.xvg Group 0 ( dihedral1) has 4 elements Group 1 ( dihedral2) has 4 elements Group 2 ( dihedral3) has 4 elements Select a group: 2 Selected 2: 'dihedral3' I get a warning as below:- Warning: calculating fractions as defined in this program makes sense for Ryckaert Bellemans dihs. only. Ignoring -of What does it mean? Can anyone please help me to understand? I am using gromacs 2020 Thanks. Sadaf -- 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.