Hi,
I would like to be able to view using Avogadro the multiple structures explored by Gaussian 09 during a geometry optimization. Is this possible?
Thanks
-Niels
I would like to be able to view using Avogadro the multiple structures explored by Gaussian 09 during a geometry optimization. Is this possible?
Thanks
They should show up as different conformers: View → Properties → Conformer Properties.
Send me a message if it doesn’t show up for you.
Cheers,
-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/
Dear Geoff,
Thank you very much. That seems to work.
Warmest regards,
Niels
Niels Damrauer
Associate Professor of Chemistry
Department of Chemistry and Biochemistry
University of Colorado at Boulder
Boulder, CO 80309
303-735-1280
niels.damrauer@colorado.edu