From ccl |-at-| probe.ac1.uni-duesseldorf.de Thu Aug 4 09:30:53 1994 Received: from probe.ac1.uni-duesseldorf.de for ccl ^%at%^ probe.ac1.uni-duesseldorf.de by www.ccl.net (8.6.9/930601.1506) id JAA09723; Thu, 4 Aug 1994 09:20:35 -0400 Received: by probe.ac1.uni-duesseldorf.de (5.61/1.34) id AA01057; Thu, 4 Aug 94 15:24:01 +0200 From: ccl ^%at%^ probe.ac1.uni-duesseldorf.de (Computational Chemistry List) Message-Id: <9408041324.AA01057 ^at^ probe.ac1.uni-duesseldorf.de> Subject: stable/unstable conformations To: chemistry: at :ccl.net (Theochem-Liste) Date: Thu, 4 Aug 1994 14:24:00 +0100 (MET) X-Mailer: ELM [version 2.4 PL2] Content-Type: text Content-Length: 425 Hi Netters! For my investigations, I calculate the energy of molecules containing the ethane-rotor. To calculate the energy difference between the 3 canonical rotamers I start with 3 different structures and optimize them. Unfortunately they all give the same result (only one rotamer). Any suggestions how I can solve this problem. I will send the result of my question in this mailing-list. Thanks a lot Kay Kreidler