CCL:G: Weak interaction energy calculations

From: "Abhinav Kumar" <abhinavmarshal{}gmail.com>
Subject: CCL:G: Weak interaction energy calculations
Date: Fri, 4 Sep 2009 05:14:51 -0400

 Sent to CCL by: "Abhinav  Kumar" [abhinavmarshal_+_gmail.com]
 I want to calculate energies for Hg..S and Hg..N interactions in my molecules
 using G03W package. For this I used the term counterpoise=2 for assining two
 molecules in the XYZ coordinate and optimizing geometry. But I want to freeze
 some atoms (especially Hg, N and S) and leaving rest of the atoms in variable
 phase. I don't how to do this?
 Abhinav Kumar
 abhinavmarshal(0)gmail.com
 Department of Chemistry
 Faculty of Science
 Lucknow University
 Lucknow 226 007
 India