Subject: Re: CCL:Visualization of G98 normal modes

From: Elmar Gerwalin <[email-masked]>
Date: Fri, 2 Aug 2002 12:22:59 +0200 (MES)

Hello Matt,

> I'm working on looking at normal mode vibrations of fairly-complex dye
> molecules.  I'm currently using WebMO to view the FREQ calculation
> output, and that works very well, but it cannot, for instance, animate
> the motion of the molecule for each normal mode.  Does anyone know of a
> piece of software that can accomplish this?

xvibs (simple "C" code, small binary, simply search thw www for it)
       can extract each normal mode from a g98 output and creates
       xyz-Files (which you can view with xmakemol or molden, e.g.)

Bye
Elmar

==============================================================
Elmar Gerwalin , University of Kaiserslautern, Germany
                 [email-masked]
                 (soon: ) http://www.rhrk.uni-kl.de/~gerwalin
==============================================================