CCL: how to deal with the result of the ONIOM method

From: "Zhong jie Liang" <zjliang__mail.shcnc.ac.cn>
Subject: CCL: how to deal with the result of the ONIOM method
Date: Wed, 4 Feb 2009 20:52:54 -0500

 Sent to CCL by: "Zhong jie Liang" [zjliang#,#mail.shcnc.ac.cn]
   Thanks for Jean-Christophe and Isabelle's help. I have known my charge problem
 and solved it.
   Now I am doing the first optimization. The next is to do the scan.I don't know
 how to deal with the result completely. What I need to do is to get the energy
 of every step and then make an adiabatic potential energy surface as a function
 of two different distances. Is that right?
   Hope to get answer very much. Thanks.
                                             ZhongjieLiang
                                          zjliang:mail.shcnc.ac.cn
                                    Shanghai Institute of Materia Medica