Re: AMBER: Regarding Dielectric Constant in AMBER8

From: Carlos Simmerling <>
Date: Thu, 25 Nov 2004 10:50:12 -0500

the first and second results from a google search for
"amber distance dependent dielectric"
point to the answer in the amber archive: wrote:

>Dear AMBER Users:
>This question is about specifying the type of DIELECTRIC in Sander calculations.
>When I use PBCs and PME, and specify dielc = 1.0, it refers to a constant
>dielctric, which is reasonable in this case..
>BUT, if I want to perform a minimization with a DISTANCE DEPENDENT DIELCTRIC, in
>AMBER8 what shall I do? Because IDIEL flag no longer works in AMBER8. Is it that
>if I specify dielc = 1.0, and do not use PBCs/PME, it would refer by default to
>a "distance-dependent" and not a "constant"? And then how to switch on to
>"constant" ,imagining that we are doing a stochastic simulation and we donīt
>apply PBCs..
>Thanks in advance!
>Vineet Pande
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Received on Thu Nov 25 2004 - 15:53:00 PST
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