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Article ID: 260 - Last Modified:

I have previously written GAMESS format files (*.gamin) directly from Maestro for small molecules with previous versions of Maestro. I notice that the *.gamin files produced appear to no longer be in the same file format and have no header information as they did before. Has something changed and is there a way to write out a GAMESS input file from Maestro?

This issue has been fixed in the Suite 2010 release. In the meantime, as a work-around you can export to .mol2, for example, and then use OpenBabel:

to convert to proper GAMESS .gamin format. This is what Maestro was doing as well, except that it was using an older version of Babel.

Keywords: GAMESS, .gamin, format, Maestro

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