From qftramos;at;usc.es Tue May 9 11:19:51 1995 Received: from uscmail.usc.es for qftramos %-% at %-% usc.es by www.ccl.net (8.6.10/930601.1506) id LAA21950; Tue, 9 May 1995 11:17:03 -0400 Received: by uscmail.usc.es (5.67b/1.34) id AA18096; Tue, 9 May 1995 17:20:45 +0200 Date: Tue, 9 May 1995 17:20:45 +0200 From: qftramos(+ at +)usc.es (Antonio Fernandez Ramos) Message-Id: <199505091520.AA18096;at;uscmail.usc.es> To: chemistry # - at - # ccl.net Subject: Intermolecular minimitation I have a dimer intermolecular potential with several parameters; the variables are the distances between atoms. I want to optimize the intermolecular coordinates but keeping the intramolecular coordinates fixed, as well as two intermolecular coordinates, one angle and one distance. Is there any program available which will allow me to introduce the potential depending on the distances and the restrictions, and which will optimize the rest of the coordinates, and be easy to use? Thanks.