[gmx-users] question about dihedral angle in *.itp file
tsjerkw at gmail.com
Thu Jan 4 10:07:31 CET 2007
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.
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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