From polowin@hyper.hyper.com Fri Sep 13 10:11:26 1996 Received: from www.hyper.com for polowin@hyper.hyper.com by www.ccl.net (8.7.5/950822.1) id JAA22834; Fri, 13 Sep 1996 09:23:59 -0400 (EDT) Received: from hyper.hyper.com (hyper.hyper.com [204.50.97.9]) by www.hyper.com (8.6.12/8.6.12) with SMTP id JAA11901; Fri, 13 Sep 1996 09:23:46 -0400 Received: by hyper.hyper.com (920330.SGI/920502.SGI) for @www.hyper.com:chemistry@www.ccl.net id AA01902; Fri, 13 Sep 96 09:23:36 -0400 Date: Fri, 13 Sep 96 09:23:36 -0400 From: polowin@hyper.hyper.com (Joel Polowin) Message-Id: <9609131323.AA01902@hyper.hyper.com> To: Jose Ignacio Garcia , chemistry@www.ccl.net Subject: Re: CCL:M:AM1 parameters for Mg? > Date: Fri, 13 Sep 1996 09:50:07 +0200 > From: Jose Ignacio Garcia > > I have revised the CCL archives, searching for questions > about AM1 parameters for Mg. From the answers collected, > it seems that HyperChem can do the trick, but unfortunately > I, as many others, have not HyperChem, but only the freely > available MOPAC 6.0. Are there any news about this question? > In other words, are there somewhere AM1 parameters for Mg > freely available for researchers? Although HyperChem's implementatin of AM1 is able in principle to work with Mg, we do not have parameters for it; they would have to be added by the user to the parameter sets. (If any AM1 parameters for Mg have been published, we would like to hear about them!) Joel ------------ Joel Polowin, Ph.D. Manager, Scientific Support Email to: polowin@hyper.com Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040 Info requests to: info@hyper.com Support questions to: support@hyper.com Email group: Send "subscribe hyperchem" to hyperchem-request@hyper.com WWW: http://www.hyper.com/