please send the log file to hansonr@stolaf.edu

On Thu, Aug 27, 2009 at 6:24 PM, Jörg Saßmannshausen <jorg.sassmannshausen@strath.ac.uk> wrote:
Dear all,

I have some problems opening a log file from a GAMESS calculation. I have
conducted a NBO calculation by adding this line in the input file:
$NBO AONBO=P plot file=/home/sassy/gamess/rem499/output $END
Although it generated the output file for the NBOView, I cannot use that
program as it crashes. So I thought I might try jmol. However, even simple
opening the file gives me that error:
Skript FEHLER: Error reading file at line 132091:
 480. Li31 (s)   -7.3005
1.8135 -9.4655 -0.5137 -5.1614-23.4537-20.3894-37.6613
-1

The line in question from the logfile is:
480. Li31 (s)   -0.0752  0.0107  0.0445  0.0230 -0.1055 -0.0222  0.0608
0.0300
(in one line).

I am somewho stuck. I only have 75 atoms so that should not be a problem (I
would have thought?).
Could somebody point me in the right direction?

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: jorg.sassmannshausen@strath.ac.uk
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
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