I’m using Gaussian to run solvation calculations, which give me an
output per atom. How do I go back and determine which atom is which?
(As in, I know with the numbering what element each atom is, but how
do I identify the atom specifically on the molecule?)
On Jun 19, 2009, at 5:47 PM, Sarah Kragt wrote:
(As in, I know with the numbering what element each atom is, but how
do I identify the atom specifically on the molecule?)
You want to turn on the “Label” display type. Then open up the
settings window and select atom labels as you wish.
Hope that helps,
-Geoff
Prof. Geoffrey Hutchison
Assistant Professor, Department of Chemistry
University of Pittsburgh
http://hutchison.chem.pitt.edu/
Office: (412) 648-0492