Re: external electric field/another try

From: James W. Caldwell <>
Date: Wed 27 Nov 2002 15:31:24 -0800 (PST)

Oh, now that you say non-periodic the problem is much easier.
Yes, just add the force Berendsen talks about. It should be
simple to do by using the subroutine xconst in sander/runmd/force
as a model for adding a simple force to the whole Hamiltonian.


On Wed, 27 Nov 2002, Ioana Cozmuta wrote:

>Hi amber users,
>I am trying to send this message again, maybe somebody will still have an
>idea and with the annotation that I do not want to use it for periodic
>There's only one paper by Tieleman, Berendsen and Sansom that I've found
>in Biophysical Journal, 2001 on this subject and the thing they suggest to
>do is to add a term F_i=q_i*E to the forces on all atoms i (with E a
>constant field).
>Once again, I would appreciate anyone's opinion on this matter.
>---------- Forwarded message ----------
>Date: Mon, 25 Nov 2002 15:18:38 -0800 (PST)
>From: Ioana Cozmuta <>
>Subject: external electric field
>Hi ambers',
>I was wondering if anyone has any experience in running calculations and
>also accounting for the presence of an external field. Has anyone tried to
>use amber with this kind of calculations? Is there anyone that can give
>advice on this: what is the best way to implement it, some tricks of the
>Thanks in advance,

James W. Caldwell                         (voice) 415-476-8603
Department of Pharmaceutical Chemistry    (fax)   415-502-1411  
Mail Stop 0446                            (email)
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University of California                  
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Received on Wed Nov 27 2002 - 15:31:24 PST
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