From nauss /at\ucmod2.che.uc.edu Wed Feb 14 10:13:19 1996 Received: from ucmod2.che.uc.edu for nauss-: at :-ucmod2.che.uc.edu by www.ccl.net (8.6.10/950822.1) id KAA10262; Wed, 14 Feb 1996 10:02:33 -0500 Received: by ucmod2.che.uc.edu (940816.SGI.8.6.9/940406.SGI.AUTO) id KAA12308; Wed, 14 Feb 1996 10:08:57 -0500 From: nauss # - at - # ucmod2.che.uc.edu (Jeffrey L. Nauss) Message-Id: <9602141008.ZM12306:~at~:ucmod2.che.uc.edu> Date: Wed, 14 Feb 1996 10:08:44 -0500 Reply-To: Jeffrey.Nauss.,at,.UC.Edu Organization: Dept. Chemistry, University of Cincinnati X-Mailer: Z-Mail (3.2.0 26oct94 MediaMail) To: chemistry /at\www.ccl.net, DIBUG /at\COMP.BIOZ.UNIBAS.CH Subject: CFF91 Forcefield for Carbohydrates? Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii In the tutorial for InsightII (the Biosym 95.0 release), there is an example of building a carbohydrate. The resulting structure was minimized using the CFF91 forcefield. Is anyone aware of CFF91 being parameterized for carbohydrates? Is there a literature or WWW reference for these possibly new parameters? Thanks... -- Jeff Nauss **************************************************************************** * UU UU Jeffrey L. Nauss, PhD * * UU UU Director, Molecular Modeling Services * * UU UU Department of Chemistry * * UU UU CCCCCCC University of Cincinnati * * UU UU CCCCCCCC Cincinnati, OH 45221-0172 * * UUUU CC * * CC Telephone: 513-556-0148 Fax: 513-556-9239 * * CC * * CCCCCCCC e-mail: Jeffrey.Nauss#* at *#UC.Edu * * CCCCCCC URL http://www.che.uc.edu/~nauss * ****************************************************************************