Yes -ov does give you average angle as a function of time. I am not sure if this answers your question though.
amit On Fri, Jan 7, 2011 at 2:40 AM, Carla Jamous <carlajam...@gmail.com> wrote: > 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 >> > > > -- > 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
