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

[Amit Choubey]

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 <carlajamous at 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.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
>>>
>>>
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