Subject: Born Energy and Delphi

From: "Jun Feng" <[email-masked]>
Date: Tue, 18 Mar 2003 20:39:41 -0500

Dear Collegues:

I tried to use Delphi to reproduce the Born energy (~162kT) for an atom with 1.7 A radii and +1 formal charge, but I found 
that the difference of the two grid energies cannot match the Born energy while the reaction field energy 
matched the Born energy quite well. The boudary condition I used is full coulombic. What's the problem?
Any idea?

Jun Feng