OEFF TK 2.5.2.1

  • Support for the latest released version of the force field from the Open Force Field Initiative (Sage 2.1.0) has been added. The constant OESmirnoffType::SAGE_OPENFF now refers to this latest version of Sage force field.

OEFF TK 2.5.2.0

Major bug fixes

  • The OEComplexFF class is now derived from OEMolFunc2 and has limited support for second derivatives when the protein is fixed.