Hi,
I am using Avogadro 1.0.3 with Ubuntu Linux 11.10. When I build a
molecule and click on the auto-optimization tool, the optimization does
not work and green lines shoot from the molecular structure in all
directions.
When I start Avogadro from Konsole, I get the warning:
I also forgot to mention that instead of AutoOpt values appearing on the
screen, I get a flashing white bar where this should be shown.
Tim
On 19/12/11 19:16, Tim wrote:
Sometimes the molecule goes through optimization. Sometimes the force
lines are shooting round the screen, but the
On Mon, Dec 19, 2011 at 2:17 PM, Geoffrey Hutchison
ge...@geoffhutchison.net wrote:
Is there currently a GUI-based method to generate and view
conformations of a molecule? Using the forcefield extension, I appear
to be generating the conformers, but in View Properties Conformer
Properties,
On Mon, 19 Dec 2011 19:26:25 -, Tim timmcilv...@talktalk.net wrote:
Should the 'surfaces' tick box work automatically for molecules you draw
in the workspace or do you have other tasks to complete before this works?
One other question. I work as a chemistry teacher and saw a wonderful
On Mon, 19 Dec 2011 23:33:18 -
Ian Kirker ian.kir...@gmail.com wrote:
I'm not 100% sure whether Avogadro can import orbital information
from any of the free QM packages. Others may be able to comment on
this more than I can, but I *think* the only other format you can get
orbitals from is
