[gmx-users] question about dihedral angle in *.itp file

[Tsjerk Wassenaar]

Hi Fu Lin,

On 1/3/07, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
> linfu wrote:
> > Dear GMX community!
> >
> > I have a question about dihedral angle in *.itp file.
> > question 1:
> >
> > why several torsional dihedral angles with different parameters can be defined
> > on the same set of atoms i, j, k, and l.
>

I assume you meant, "what does it mean if several dihedral angles are
defined on the same set of atoms with different parameters?". Note
then, that these definitions are additive. I believe it is explained
in the manual, force fields, chapter 4.

Cheers,

Tsjerk

-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623