From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Fri Dec 17 2004 - 10:55:34 CST
This question and several variants have been posted recently and have not
garnered a response from any developers.
I too, would like an explanation to these and past questions about
multiplicity/ordering convention etc...
regards
Brian
On Thu, 16 Dec 2004, mdcooper wrote:
> Hello all,
>
> I am confused about dihedral multiplicity.
>
> It seems to be that the multiplicity value indicates that a number of
> identical dihedrals exist and this is a time saving measure:
>
> <<If the PSF file originates from X-PLOR, consecutive multiple entries for the
> same dihedral (indicating the dihedral multiplicity for X-PLOR) will be
> ignored. >>
>
> How does this possibly work? Can anyone help? If the different dihedrals move
> differently then this convention would not work.
>
> Thanks,
>
> Matt
>
>
*****************************************************************
**Brian Bennion, Ph.D. **
**Computational and Systems Biology Division **
**Biology and Biotechnology Research Program **
**Lawrence Livermore National Laboratory **
**P.O. Box 808, L-448 bennion1_at_llnl.gov **
**7000 East Avenue phone: (925) 422-5722 **
**Livermore, CA 94550 fax: (925) 424-6605 **
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