Thanks a lot Mark!

----------------------------------------
> Date: Wed, 15 Aug 2012 11:48:00 +1000
> From: mark.abra...@anu.edu.au
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] Parameters for bonded interactions
>
> On 15/08/2012 9:46 AM, Sebastien Cote wrote:
> > Dear Gromacs users,
> >
> > In the topology file of the protein, we see every two atoms that share a 
> > bond, three atoms that share a bond angle, and four atoms that share a 
> > torsion angle. However, the parameters (equilibrium value, energy constant, 
> > phase) are not explicitly shown as Gromacs fetch them in the ffbonded 
> > table. My question: Is there a simple way to see (without having to look at 
> > the code) which parameters are associated to which bond length, bond angle 
> > and torsion angle?
> >
> > More specifically, I would like to know which torsion angle parameters is 
> > specifically associated to each torsion angle. In the ffbonded table, there 
> > is sometimes different groups of four atoms that can be associated to the 
> > same torsion angle as there is the 'X' atom which can be any atom.
>
> grompp -pp writes out a post-processed topology, which may be what you need.
>
> Otherwise you can inspect the contents of the .tpr file to see which
> interaction gets which parameters. That is not easy for a large system,
> but is definitive.
>
> Mark
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