Hi Fu Lin,
On 1/3/07, David van der Spoel <[EMAIL PROTECTED]> 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
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