From chemistry-request@server.ccl.net  Wed Sep 20 05:19:32 2000
Received: from lrz.uni-muenchen.de (root@f-215-6.cvx.ipdial.viaginterkom.de [62.180.215.6])
	by server.ccl.net (8.8.7/8.8.7) with ESMTP id FAA28550
	for <chemistry@ccl.net>; Wed, 20 Sep 2000 05:19:30 -0400
Received: (from eugene.leitl@localhost)
	by lrz.uni-muenchen.de (8.8.8/8.8.8) id BAA10943;
	Wed, 20 Sep 2000 01:15:54 -0700
From: Eugene Leitl <eugene.leitl@lrz.uni-muenchen.de>
MIME-Version: 1.0
Content-Type: text/plain; charset=us-ascii
Content-Transfer-Encoding: 7bit
Message-ID: <14792.29241.292506.656476@lrz.uni-muenchen.de>
Date: Wed, 20 Sep 2000 01:15:53 -0700 (PDT)
To: Greg Lakatos <greg@fjohn.stanford.edu>
Cc: chemistry@ccl.net
Subject: CCL:Electromagnetic waves within CHARMm
In-Reply-To: <Pine.LNX.4.21.0009192315150.1587-100000@fjohn.Stanford.EDU>
References: <Pine.LNX.4.21.0009192315150.1587-100000@fjohn.Stanford.EDU>
X-Mailer: VM 6.71 under 21.1 (patch 4) "Arches" XEmacs Lucid

Greg Lakatos writes:

 > Does anyone know if it is possible to have CHARMm simulate the effects of
 > an EM wave interacting with a macromolecule?  In particular, is
 > there a way to get CHARMm to compute the Lorentz force acting on an atom
 > given the wavevector, polarization, amplitude, and frequency of the wave?

I'm also interested in an answer to this, with an angle on NEMS (nano
electro mechanical systems) utilizing optics and generally operating
in a high energy density dissipation regime.


