Subject: CCL: how to do calculations of enzyme with ONIOM method

From: "xiongying" <xiongying99^at^fescomail.net>
Date: Tue, 7 Oct 2003 16:32:26 +0800

CHEMISTRYHi, everyone,
  I just want to do the geometry optimization with
ONIOM method using Gaussian.However, I met some
problems:
(1) How to decide the charge of enzyme ? How to decide
the charge of every layer?
(2)When I begin to run Gaussian, I consider all the
system as one layer for a try with Dreiding force
field.However I got the following error information:  
Unrecognized type string:  ZR3_4
 Unrecognzied type string in DecAty.
   Thank you for your time!