PeterP
peter.pyridin@gmx.de
The point is, they need molden-style input formats for their java-prgroam. They added a tool to convert NWChem and ORCA results to molden-format file but I am rather interested in how to do so with Firefly output-files oder GAMESS-US log-files.
Here's a description what the molden-format is: http://www.cmbi.ru.nl/molden/molden_format.htmlhttp://www.cmbi.ru.nl/molden/molden_format.html
Any ideas how to do that easily ?