[gmx-users] number of index elements not multiple of 3, these can not be angle triplet

[Carla Jamous]

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.amit at gmail.com> wrote:

> try the -type option with dihedral
>
> amit
>
> On Fri, Jan 7, 2011 at 2:16 AM, Carla Jamous <carlajamous at 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 at 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-request at gromacs.org.
>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>
>
> --
> gmx-users mailing list    gmx-users at 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110107/18da1781/attachment.html>