I also found that only certain log files work while others do not - no
matter what model you are viewing.
I don't understand why that is. Has anyone elso encountered this problem?
On Mon, Oct 4, 2010 at 1:22 PM, Robert Hanson <[email protected]> wrote:
> 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
>
>
> ------------------------------------------------------------------------------
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> environment for deploying applications. Does it make network security
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> two and get a better understanding.
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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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