please send the offending output as an attachment - should be a simple fix.
On Tue, Dec 1, 2009 at 8:34 AM, Jörg Saßmannshausen <
[email protected]> wrote:
> Dear all,
>
> I have a very peculiar problem sometimes with NWChem output files: rather
> than
> the usual ball and stick representation of the calculations, I only get the
> position of the atoms as dark pink balls. Although I can make out the
> molecule as I know the structure, it somehow looks a bit funny.
>
> I have not yet really worked out where the problem is. If I am using a
> cartesian input file, it never really is a problem. However, using zmatrix
> files the problem appears at least sometimes. All the information seems to
> be
> there as the atom lables are printed, albeit in lower case (in case that
> matters).
>
> Funny enough, if I am displaying (from the same output file) the frequency
> calculation, then everything is back to normal.
>
> Has anybody a similar experience? Any ideas what could be wrong?
> Right now I only got an example with the current problem, hence I cannot
> post
> the output file on the list.
>
> All the best from Glasgow!
>
> Jörg
>
> --
> *************************************************************
> Jörg Saßmannshausen
> Research Fellow
> University of Strathclyde
> Department of Pure and Applied Chemistry
> 295 Cathedral St.
> Glasgow
> G1 1XL
>
> email: [email protected]
> web: http://sassy.formativ.net
>
> Please avoid sending me Word or PowerPoint attachments.
> See http://www.gnu.org/philosophy/no-word-attachments.html
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
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-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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