AMBER Archive (2004)

Subject: Re: AMBER: Regarding Dielectric Constant in AMBER8

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Fri Nov 26 2004 - 13:24:59 CST


the energy is the product of the charges divided
by the product of distance and dieletric. If the dielectric is rij, then
then
energy is (qi*qj)/(r*r). so, the distance dependence of the interaction
energy
is 1/r^2, but the dielectric itself is only 1/r.

pande.vineet_at_fc.up.pt wrote:

>Dear Prof. Simmerling:
>Thanks for reply,
>
>
> eedmeth=5: Using 1/r dielectric does not look like as specified in
> the page
>
>109 of manual, a distance-dependent dielctric should be 1/r2 (?) rather than
>1/r...??
>
>
>
>
>
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