Dear List Members,
I am building some simple molecules in Avogadro for a future lab
experiment. I built carbon dioxide by selecting carbon and a double bond
order, and I turned off the adjust hydrogens box. I created C = C = C, went
back and selected oxygen, and clicked on the outer carbon atoms to
Hi Richard,
The constraints may not be exact because the optimizer will slowly apply them.
There's also a penalty function for "breaking" constraint -- depending on the
energetics of the system, you might get slightly "off" values.
If you need the *exact* angles and distances, you can do that t
