From chemistry-request@ccl.net Mon Jun 29 14:46:49 1992
Date: Sun, 28 Jun 1992 12:41:20 +0200
From: Yves chapron <chapron@drac.ceng.cea.fr>
To: "chemistry@ccl.net"@kth.sunet.se, martin@biokth.sunet.se
Subject: Re: Cut offs.
Status: RO

Dear Martin,

We are working on Gramicidine. We have added just a term as Roux did on the empirical
energy function: E= S -1/2( q2 Ai/Ri4). That give the interaction energy of charge
of the ion and the point dipoleinduced on the peptide atoms. For your problem
may be you have interest to contact Tom Simonson in Yale (If still there):
simonson@volta.biology.yale.edu
If you got good answers please tell me the story ...
good luke
yves