Re: multiplicity of dihedrals

From: Ajasja Ljubetič (
Date: Thu May 27 2010 - 03:45:45 CDT

Yes. In the potential function K(1 + cos(n( - )) for the dihedral
angle, n is called the multiplicity. Look at page 101 in the namd tutorial.
As a side note: In a small number of cases two or three terms are provided
for the same dihedral angle. XPLOR/CHARMM writes multiple dihedral bonds in
to the PSF, while NAMD writes only one dihedral bond and extracts multiple
dihedral terms directly from the parameter file.


On Thu, May 27, 2010 at 10:02, <> wrote:

> Hi,
> I didn't understand the term multiplicity of dihedrals. Could anyone help
> me? I
> have read the tutorials.
> Thanks in advance.
> Maria

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