VMD-L Mailing List

From: Eduard Schreiner (eduard.schreiner_at_theochem.ruhr-uni-bochum.de)
Date: Wed Jul 13 2005 - 04:05:27 CDT

Jiabo Li wrote:
> Hi,
>
> I am a new user of VMD. I am very interested in the visualization of
> molecule orbitals. I have created cube file which can be displayed in
> other visualizer, like Molekel, but I see nothing in VMD even though
> the file was loaded correctly and the molecule was displayed. Anyone can
> teach me how to display the beautiful picture of orbitals?
>
> Thanks,
>
> Jiabo

Hey Jiabo,
look into:
http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/index.html
In chapter 7 Axel shows some examples and describes how to generate them.

Eddi 

-- 
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Eduard Schreiner                        e-mail: eduard.schreiner_at_rub.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-22121
Ruhr-Universitaet Bochum - NC 03/52         Fax:   ++49 (0)234/32-14045
D-44780 Bochum                               http://www.theochem.rub.de
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