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
systems.
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.
Thanks,
Ioana
---------- Forwarded message ----------
Date: Mon, 25 Nov 2002 15:18:38 -0800 (PST)
From: Ioana Cozmuta <ioana_at_nas.nasa.gov>
To: amber_at_heimdal.compchem.ucsf.edu
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
trade?
Thanks in advance,
Ioana
Received on Wed Nov 27 2002 - 14:13:08 PST
