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 >
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