Hi all
Can Avogadro program build Gamess input files for ions?
Thanks very much
Best regards
Nagat
Hi all
Can Avogadro program build Gamess input files for ions?
Thanks very much
Best regards
Nagat
Can Avogadro program build Gamess input files for ions?
Sure. You can set the overall charge and spin state from the GAMESS input dialog.
Hope that helps,
-Geoff
Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: geoff.hutchison@gmail.com
web: http://hutchison.chem.pitt.edu/
Thanks Geoff for fast reply. This information benefit me a lot.
Thanks again
Best regards
Nagat
— On Mon, 3/26/12, Nagat Mohammed nagat_mhd@yahoo.com wrote: