From owner-chemistry@ccl.net Fri Apr 17 11:53:01 2009
From: "Kenny Bravo kenny++fq.uh.cu" <owner-chemistry^^server.ccl.net>
To: CCL
Subject: CCL: Dalton 2.0
Message-Id: <-39100-090417102943-13776-yMrb+8NexAltLQVtnXpigA^^server.ccl.net>
X-Original-From: "Kenny  Bravo" <kenny**fq.uh.cu>
Date: Fri, 17 Apr 2009 10:29:39 -0400


Sent to CCL by: "Kenny  Bravo" [kenny[-]fq.uh.cu]
Hello
I want to perform a constrained geometry optimization using Dalton 2.0. I used .FINDRE to identify the redundant coordinate but the angle I want to keep fixed it is not included in the list of redundant internal coordinates. What can i do?
Thanks in advanced