Could not find a valid valance for Atom - Cu about autode HOT 2 CLOSED

@t-young31, thank you for suggestions. Somethings began to work, some did not yet. Let me respond after I finish a few calculations to better describe what and how is going on.

Also, sorry for the confusion. I used the word conformer, because after generating possible complexes I use function xxx.find_lowest_energy_conformer.

from autode.

Hi @mit-eremin

Don't worry about it – I'm always happy to answer questions.

So that statement is just a warning, and can be safely ignored (probably!). Specifically, the maximum valance hasn't been defined for all elements in this function. This property is used when constructing a molecular graph from just atom positions, which is in turn used to discard any conformers with different connectivity. For your system it's definitely worth turning off checks on connectivity, in which case the warning you get definitely doesn't matter! There's an example here that just boils down to setting allow_connectivity_changes=True. Hope that helps

what is a conformer?!?

from autode.