[gmx-users] multiplicity
David
spoel at xray.bmc.uu.se
Mon Feb 3 23:31:31 CET 2003
On Tue, 2003-02-04 at 00:21, Chris Shaw wrote:
>
>
> Hi all,
> I am using some previously determined parameters for the dihedral angles in a peptide I am looking at. My question is what is multiplicity, and how can I determine it??. I have look in the manual at chp 4 & 5 and am still no clearer apart from the fact that they concern dihedral angle.
> Could someone please cast some light on this
Just the number of minima in the potential.
> Cheers
> Chris
>
>
>
>
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Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Dept. of Cell and Molecular Biology
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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