Hi David, thanks so much for your quick reply. Please find in attachment the molecule that caused the crash.
I'm a Phd student and I'll have to do 'systematic research of rotors' even for much larger molecules.
Tanks again for your help Federica Def. Quota David Lonie <[email protected]>:
Hi Federica, On Tue, Mar 13, 2012 at 5:28 AM, <[email protected]> wrote:I'm doing the research of the conformers with Avogadro. I made a 'systematic research of rotors' for a molecule of 36 atoms and 8 rotatable bonds. This one has been successful. But when I did the same operation for one molecule of 45 atoms and 11 rotatable bonds, I found the following error: Microsoft Visual C++ Runtime Library RUNTIME ERROR! Program: C:\Programmi_1\Avogadro\bin\avogadro.exeThis application has requested the Runtime to terminate it in an unusual way.Please contact the application's support team for more information.Can you send a copy of the molecule that caused this crash? This will be much easier to track down and fix if we can reproduce the problem. Thanks, Dave ------------------------------------------------------------------------------ Keep Your Developer Skills Current with LearnDevNow! The most comprehensive online learning library for Microsoft developers is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, Metro Style Apps, more. Free future releases when you subscribe now! http://p.sf.net/sfu/learndevnow-d2d _______________________________________________ Avogadro-Discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
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molecule.xyz
Description: Xmol XYZ data
molecule.xyz
Description: Xmol XYZ data
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