Hi, This may be the answer to your question https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2004-February/009490.html Best regards Alessandra
On Mon, Mar 16, 2020 at 7:05 PM Sadaf Rani <sadafra...@gmail.com> wrote: > 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. > -- 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.
