AMBER Archive (2004)

Subject: Re: AMBER: Regarding Dielectric Constant in AMBER8

From: Carlos Simmerling (
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
energy is (qi*qj)/(r*r). so, the distance dependence of the interaction
is 1/r^2, but the dielectric itself is only 1/r. 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
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