Hi,
I'm trying to view FILE.37 generated using orca/nbo, but I'm unable to do so. I have a Jmol script, and with the same script, I can open FILE.32 to FILE.36 and FILE.38 to FILE.40. I even downloaded the latest version of Java, but I still get the same error message.
script ERROR: Error reading file at end of file
-2147483648
for file /Users/Desktop/test/FILE.37
type GenNBO
----line 1 command 1 of /Users/Desktop/test/mol.jmol:
load "FILE.37"<<<<
----line 1 command 1 of /Users/Desktop/test/mol.jmol:
script "mol.jmol"
Does anyone know how to fix this? Please advise.
Hello, Maureen
For this kind of problems, you should use the jmol-users email distribution list.
Anyway, it is hard to help unless you share the problematic file.
The -2147483648 error is indicating that the file was found, but its format was different from what was expected. nbo files #37 are reading correctly for our test set. Please attach the file in a response to this message so we can see what might be the issue. Probably a simple fix.
Q: What is the source version of ORCA you are using? This might be something you will need to address with that group.
But first, let's find out exactly what the problem is.
PS. Please send the full set of no files. At least include 31.
On Tue, Aug 26, 2025, 6:31 PM Bob Hanson hansonr@users.sourceforge.net
wrote:
Related
Bugs: #633
... of NBO files.
On Tue, Aug 26, 2025, 9:05 PM Robert Hanson hansonr@stolaf.edu wrote:
Related
Bugs: #633
closing this issue if no further response.
On Tue, Aug 26, 2025 at 10:11 PM Bob Hanson hansonr@users.sourceforge.net
wrote:
--
Robert M. Hanson
Professor of Chemistry, Emeritus
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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
We stand on the homelands of the Wahpekute Band of the Dakota Nation. We
honor with gratitude the people who have stewarded the land throughout the
generations and their ongoing contributions to this region. We acknowledge
the ongoing injustices that we have committed against the Dakota Nation,
and we wish to interrupt this legacy, beginning with acts of healing and
honest storytelling about this place.
Related
Bugs: #633