Thank you, It worked, one last question. Something is not very clear to me:
-ov: plots the average angle of a group of angles as a function of time!! What does it mean? Because I'm getting positive and negative values in the same plot. Are these values the values of my dihedral angle as a function of time? Thanks again, Carla On Fri, Jan 7, 2011 at 11:30 AM, Amit Choubey <kgp.a...@gmail.com> wrote: > try the -type option with dihedral > > amit > > On Fri, Jan 7, 2011 at 2:16 AM, Carla Jamous <carlajam...@gmail.com>wrote: > >> Hi Everyone, >> >> Please I'm trying to calculate one dihedral angle as a function of time >> during my simulation. >> For this, I used g_angle. In the manual (version 4.0.3) it says: the >> indexfile should contain atom-triplets or atom-quadruplets for dihedrals. >> >> I put an atom-quadruplet in my index file, but when I run >> g_angle -f .xtc -n .ndx -od .xvg >> >> and I select the group of atom-quadruplets, gromacs crashes and shows this >> error message: >> number of index elements not multiple of 3, these can not be angle >> triplets >> >> So actually g_angle only calculates angles not dihedrals? >> >> Thanks >> >> Carla >> >> >> -- >> >> gmx-users mailing list gmx-users@gromacs.org >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to gmx-users-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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