dielectric constant

Toon Verstraelen toon.ver... at UGent.be
Mon Jul 7 09:18:29 CEST 2008


Hello,

I've been looking for this in the usual places. I can't find how to set a 
uniform dielectric constant for a molecular mechanics simulation of a liquid. Is 
there a proper way to do this? One could divide the MM charges by the square 
root of the relative dielectric constant. (Unless there is a better way, I'm 
happy with it.)

cheers,

Toon


-- 
ir. Toon Verstraelen
Center for Molecular Modeling
Ghent University
Proeftuinstraat, 86
B9000 Gent
Belgium
http://molmod.UGent.be
http://molmod.UGent.be/code
tel : +32 92646556
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