[gmx-users] specific dihedral plotting

[tarak karmakar]

Thanks Mark ,

I got it now ....:)

On Thu, Sep 20, 2012 at 3:06 PM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> On 20/09/2012 7:31 PM, tarak karmakar wrote:
>>
>> Dear All,
>>
>>        I need to plot a specific dihedral in  my protein and I have to
>> see how it is changing with time. So while doing that I have created a
>> new group for that specific dihedral by taking corresponding 4 atoms.
>> Now, how could I specify this dihedral present in the index file while
>> running g_dih program, as I see in the online manual options are as
>> follows
>>
>> g_dih -f traj.xtc -s topol.tpr -o dih.out
>>
>> And it essentially gives the statistics of all the dihedrals.
>
>
> g_angle -type dihedral is probably more like what you want.
>
> Mark
> --
> 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



-- 
Tarak Karmakar
Molecular Simulation Lab.
Chemistry and Physics of Materials Unit
Jawaharlal Nehru Centre for Advanced Scientific Research
Jakkur P. O.
Bangalore - 560 064
Karnataka, INDIA
Ph. (lab) : +91-80-22082809