From owner-chemistry -8 at 8- ccl.net Mon Sep 19 14:32:10 2005 From: "CCL" To: CCL Subject: CCL: Problem freezing atoms with gaussian Message-Id: <-29232-050919131721-21834-cd5HlFToq/gZKXv2V06osQ:+:server.ccl.net> X-Original-From: Ben Sattelle Content-Disposition: inline Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-15; format="flowed" Date: Mon, 19 Sep 2005 17:37:44 +0100 MIME-Version: 1.0 Sent to CCL by: Ben Sattelle [ben.sattelle:+:postgrad.manchester.ac.uk] --Replace strange characters with the "at" sign to recover email address--. > Alternatively, is there a different way to fix some > cartensian atomic positions? i use -1, see ... http://www.ccl.net/cgi-bin/ccl/message.cgi?2001+08+06+008 ben.