From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Feb 13 2014 - 14:23:52 CST
Additionally, this has nothing to with namd but with forcefield definitions.
Norman Geist.
> -----Ursprüngliche Nachricht-----
> Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im
> Auftrag von Jeffrey Potoff
> Gesendet: Donnerstag, 13. Februar 2014 18:34
> An: Anna Borlsky
> Cc: namd-l_at_ks.uiuc.edu
> Betreff: Re: namd-l: Dihedrals multiplicity!
>
> On 02/13/2014 12:27 PM, Anna Borlsky wrote:
> > Dear Jeffrey,
> >
> > Thank you very much for the link, but I did not found in it an answer
> > to my question.
> > What I see is that when I changed the multiplicity of the dihedrals
> in
> > namd the molecule twisted. But I do not know which are the right
> > multiplicities to use and what does they mean in the simulation.
> >
> > Best regards,
> > Vanessa
> >
> Try this one:
>
> http://www.ks.uiuc.edu/Training/Tutorials/science/forcefield-
> tutorial/forcefield-html/node6.html
>
> Specifically, you should read the section entitled "A Closer Look at
> Dihedral Parameters"
>
> --
> ======================================================================
> Jeffrey J. Potoff jpotoff_at_wayne.edu
> Associate Professor and Director of Early Engineering Programs
> Department of Chemical Engineering and Materials Science
> Wayne State University 5050 Anthony Wayne Dr
> Detroit, MI 48202
> http://potoff1.eng.wayne.edu
> ======================================================================
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