> Great, thank you for offering guidance. I used avogadro 1 to calculate the
> energy at [Energy = 9,515.9 kJ/mol]. The wiki does not detail exactly what
> is meant by this figure. What is the context for the kJ/mol figure?
This depends on what force field you used (likely UFF). It’s a relati
On Thu, Nov 10, 2016 at 12:34 PM, Tim Potter wrote:
> Thank you so much for your offer to help. I'm happy to help user document
> avogadro when you get to that point. I started trying avogadro 2 because
> avogadro 1 was not saving double bonds, and was also not aware that avogadro
> 1 had these
Hi Marcus
Thank you so much for your offer to help. I'm happy to help user document
avogadro when you get to that point. I started trying avogadro 2 because
avogadro 1 was not saving double bonds, and was also not aware that
avogadro 1 had these extension capabilities. I saved the file in CML w
