CCL: freeze internal coordinates in G03
- From: "Eric Hu" <list.eric*|*gmail.com>
- Subject: CCL: freeze internal coordinates in G03
- Date: Wed, 31 May 2006 10:29:25 -0700
Hi, I want to freeze two monomers in a dimer structure during a
geometry optimization. ModRedundant provides several ways to freeze
bond length, angle and dihedral angles. Since I want to freeze any
internal geometry optimization within the monomer and am only
interested in their relative orientation in the dimer, I wonder if
there are more concise ways to deal with this besides using B ** F,
A***F and D***F for every atom. Thanks.
Eric