[gmx-users] specific dihedral plotting

tarak karmakar tarak20489 at gmail.com
Thu Sep 20 11:56:32 CEST 2012

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
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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

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