From wally-: at :-CompChem.com Tue Jan 30 18:08:54 1996 Return-Path: Received: from ng.netgate.net by Picard.ml.wpafb.af.mil (4.1/version) id AA15977; Tue, 30 Jan 96 18:08:52 EST Received: from p90 (d27.netgate.net [205.214.160.59]) by ng.netgate.net (8.6.12/8.6.9) with SMTP id PAA07100 for ; Tue, 30 Jan 1996 15:14:27 -0800 Message-Id: <2.2.32.19960130230909.0030e3c4;at;ng.netgate.net> X-Sender: wally;at;ng.netgate.net X-Mailer: Windows Eudora Pro Version 2.2 (32) Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Tue, 30 Jan 1996 15:09:09 -0800 To: patnaiss ^at^ Picard.ml.wpafb.af.mil (Soumya S. Patnaik MLPJ UTC) From: "Walter E. Reiher III" Subject: Re: CCL:looking for a rigid body minimization program Status: OR I wrote such a program for my thesis work a long time (10-13 years) ago and recently tried to dust it off and get it working again. It appears that I'm going to have to do it over again, as it even predates ANSI C. The last working version was under VAX/VMS and I still have an .EXE that runs on an old-fashioned VAX (not Alpha/OpenVMS). It takes a Gaussian-like Z-matrix as input and optimizes in internal coordinate space (with analytic derivatives and flexible force fields). I would be very interested in receiving a summary of the responses you receive, in the hope that I'm not going to have to re-invent it all over again. Good luck, Wally ======================================================================== Walter E. Reiher III, Ph.D. Wally %-% at %-% CompChem.com CompChem Innovations Consulting in computational chemsitry P.O. Box 61056 voice 408-720-0240 Sunnyvale, CA 94088 fax 408-720-0378