Make sure you are looking at the right model. The Gamess output might
involve a starting input model followed by the others.
try
model 1.2
and then look at the menu.
Send me the log file if that does not work.
Bob
On Mon, Oct 4, 2010 at 12:19 PM, Marco Zimmer-De Iuliis <[email protected]
> wrote:
> Hello all,
>
> As far as I understand it, Jmol should be able to display molecular
> orbitals from the output of a GAMESS(US) calculation (.log file).
>
> I have tried a number of different calculations (DFT geometry
> optimizations, energy caluclations, freuqency analysis) and when I open
> these files in Jmol, the "Molecular Orbitals" part of the menu is greyed
> out.
>
> I also took the examples from the Jmol wiki page and tried those and I get
> the same thing.
>
> How can I visualize molecular obritals? Why is this section greyed out? I
> am using Jmol 12.0.10.
>
> Thanks,
> Marco
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
Virtualization is moving to the mainstream and overtaking non-virtualized
environment for deploying applications. Does it make network security
easier or more difficult to achieve? Read this whitepaper to separate the
two and get a better understanding.
http://p.sf.net/sfu/hp-phase2-d2d
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