openforcefield / amber-ff-porting

Scratch space for porting amber FFs into SMIRNOFF format
1 stars 3 forks source link

Proline SMARTS can't be processed #4

Closed j-wags closed 4 years ago

j-wags commented 4 years ago

Some legacy code in the OpenFF toolkit is unable to handle certain ring-closing bonds. This issue can be closed when the OpenFF toolkit can correctly handle these. This issue is basically a placeholder for https://github.com/openforcefield/openforcefield/issues/592, and will be closed by https://github.com/openforcefield/openforcefield/pull/601

j-wags commented 4 years ago

This has been closed by merging OFF Toolkit PR 601 https://github.com/openforcefield/openforcefield/pull/601