Subject: Re: CCL:QM on LINUX

From: "Lic. Domingo M. Vera" <[email-masked]>
Date: Tue, 30 Dec 1997 18:41:03 -0400 (ADT)

On Tue, 23 Dec 1997, Fdo Danilo Gonzalez Nilo wrote:

> Hi all, 
> 
> Does anybody know any quantum mechanic software (semiempirical, ab 
> initio or DFT) running on LINUX? 
> 
> I will summarize all answers!!
> 
> Thanks a lot,
> 
> Danilo Gonzalez N.           

Dear Danilo.

	I think that Linux will became the most popular platform for 
computational chemists. There are lots of software packages, free or
comercial for QM calculations. You can find ampac/Mopac, GAMESS, gaussian
94 and other general purpose semiempirical or ab initio packages and also
very specific ones. There are some sites where you can find pointers to
scientific applications for linux.
	For example:
	- http://lem.ch.unito.it/linux/
	An extensive list of scientific software (and also office suites,
	word processors, etc). There you can find the home sites of mopac,
	gaussian, gamess among others.
	- http://www.chem.lsu.edu/htdocs/people/crharwell/anim.htm
	A list of molecular visualization/animation software.
	- http://www.chem.ucla.edu/chempointers.html
	- http://www.ccl.net/ccl/search.html

	Happy new year
	Mariano

D. Mariano Vera
PhD. student Computational Chemistry & Electron Transfer Group.
Dpt. of Organic Chemistry. 
Fac. Cs. Quimicas. Universidad Nacional de Cordoba.
Cordoba, ARGENTINA.
Voice: 54-51-334170
Fax:   54-51-333030
e-mail:[email-masked]