Mike,
As Angel said, Jmol loads the Gaussian .log fine. My recollection is that the
Gaussian files contain all the steps in the optimization just like GAMESS (the
package, I'm most familiar with). Once the .log file is loaded all you should
have to do is turn animation on with a script command. Try "frame rewind;
animation on;". If each step is in multiple files you will have to load them
into frames separately, before starting the animation. In the Jmol application
you can just use the animation buttons up in the tool bar, to control the
animation. The development version of Jmol (12.0) will also automatically
generate a web page with animation controls using the WebExport function/dialog.
Jonathan
On Jun 15, 2010, at 5:29 PM, [email protected] wrote:
> Message: 2
> Date: Tue, 15 Jun 2010 11:00:33 -0500
> From: Michael Evans <[email protected]>
> Subject: [Jmol-users] Animations of Gaussian Geometry Optimization
> To: [email protected]
> Message-ID:
> <[email protected]>
> Content-Type: text/plain; charset="iso-8859-1"
>
> Lords of Jmol: I came across an interesting question the other day. A
> student wants to use Gaussian .log output to build an animation of the
> geometry minimization process from Gaussian's point of view, with each frame
> corresponding to a different geometry until the optimized structure is
> reached. Any thoughts on the best way to do this?
>
> Cheers and thanks, Mike
>
> --
> Mike Evans
> Organic Chemistry Graduate Student
> Moore Group
> University of Illinois, Urbana-Champaign
Dr. Jonathan H. Gutow
Chemistry Department [email protected]
UW-Oshkosh Office: 920-424-1326
800 Algoma Boulevard FAX:920-424-2042
Oshkosh, WI 54901
http://www.uwosh.edu/facstaff/gutow
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