Dear Robert, any news about the UHF non readable file?
thanks fab Robert Hanson ha scritto:
yeah, that's for me. I can help. Please send a copy of the file to me.On Wed, Feb 4, 2009 at 11:03 AM, fab <fabr...@unisi.it <mailto:fabr...@unisi.it>> wrote: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 ------------------------------------------------------------------------------ Create and Deploy Rich Internet Apps outside the browser with Adobe(R)AIR(TM) software. With Adobe AIR, Ajax developers can use existing skills and code to build responsive, highly engaging applications that combine the power of local resources and data with the reach of the web. Download the Adobe AIR SDK and Ajax docs to start building applications today-http://p.sf.net/sfu/adobe-com _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net <mailto:Jmol-users@lists.sourceforge.net> https://lists.sourceforge.net/lists/listinfo/jmol-users -- 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 ------------------------------------------------------------------------ ------------------------------------------------------------------------------ Create and Deploy Rich Internet Apps outside the browser with Adobe(R)AIR(TM) software. With Adobe AIR, Ajax developers can use existing skills and code to build responsive, highly engaging applications that combine the power of local resources and data with the reach of the web. Download the Adobe AIR SDK and Ajax docs to start building applications today-http://p.sf.net/sfu/adobe-com ------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
-- 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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