Re: AMBER: External Electric Field

From: David A. Case <>
Date: Wed, 2 Feb 2005 10:08:59 -0800

On Tue, Feb 01, 2005, Brandon Tefft wrote:

> Can someone please explain how I can
> add an external electric field or attach a force to a
> group of atoms in Amber?

You will have to do some programming yourself. The easiest thing is probably
to modify the xconst() function (in ene.f) to change harmonic forces on
a given group of atoms into the forces that would be arising from the external

.....good luck..dac

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Received on Wed Feb 02 2005 - 18:53:00 PST
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