Skip to content

0.23.6 - Bugfix release

Choose a tag to compare

View all tags
@andrrizzi andrrizzi released this 03 Oct 23:18
0.23.6
392ab21
This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.
GPG key ID: 4AEE18F83AFDEB23
Expired
Verified
Learn about vigilant mode.
  • Fix bug where redefining MCDisplacement/RotationMove in the YAML mcmc_moves block without specifying atom_subset caused the MC move to affect the whole system instead of only the ligand atoms (#1099).
  • Add net_charge option to the antechamber YAML pipeline for charged small molecules (#1099).
  • Added YAML syntax tutorial in the online documentation (#1099).
Assets 2
Loading