Revisit conformer generation for ELF10 charges

Question

Opened this issue 3 years ago · 0 comments

Currently we use Omega to generate conformers, but this can generate unphysical trans-COOH states
Work around implemented in #721 turns off sampling hydrogens
OpenFF manually resets the hydroxyl (https://github.com/openforcefield/openff-toolkit/blob/fa80730ef6ca3bdd24515a74532542a4ca3f5653/openff/toolkit/utils/openeye_wrapper.py#L1800)
Investigate a better solution