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.