Subject: Re: CCL:M:AM1 parameters for Mg?

From: [email-masked] (Joel Polowin)
Date: Fri, 13 Sep 96 09:23:36 -0400

> Date: Fri, 13 Sep 1996 09:50:07 +0200
> From: Jose Ignacio Garcia <[email-masked]>
> 
> 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: [email-masked] 

Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040
Info requests to: [email-masked]    Support questions to: [email-masked]
Email group: Send "subscribe hyperchem" to [email-masked]
WWW: http://www.hyper.com/