Re: AMBER: electric field calculation

From: David A. Case <>
Date: Thu, 31 May 2007 09:44:34 -0700

On Thu, May 31, 2007, lishan yao wrote:

> Thank you David. Since I want to compare the field on different nitrogens
> and 1-2 and 1-3 electrostatics should be very similar on each site, I can
> simply treat 1-2 and 1-3 as my background (hopefully o.k.). One question is
> how to extract this electrostatics force from simulation?
> Is it explained on the manual?

No. It is not implemented in the code. You will have to grok the code and
extract the needed information yourself.


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Received on Sun Jun 03 2007 - 06:07:26 PDT
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