hi,
I am using Jmol to visualize the results of mopac2007/09 calcs performed
via the WebMO interface.
To obtain a Jmol-redable file I add the keyword GRAPHF to the mopac
instructions and I obtain an output.gpt file, which I can read with Jmol.
Now, I have encounterd this problem:
for the same molecule the RHF calc is readable, while as soon as I add
the Keyword UHF Jmol is unable to open the file and gives this error
message:
script ERROR: Error reading file at line 11175:
-0.52079959D-02-0.84254629D-02-0.14313210D-01
String index out of range: 60
for file C:\Programmi\WebMO\fab\129\output.gpt
type mopacGraphf
----line 1 command 1:
load >> "C:/Programmi/WebMO/fab/129/output.gpt" <<
$
somebody knows how to help?
regards
Fabrizia
--
Fabrizia Fabrizi de Biani
/Dipartimento di Chimica Università di Siena
Via A. Moro 53100, Siena, Italy
/Tel +39 0577 23 42 45
Fax +39 0577 23 42 33
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