Fix devtools for #666 changes

This commit is contained in:
IAlibay
2024-02-08 12:05:50 +00:00
parent 08158972c9
commit 8b7d34079d

View File

@@ -127,7 +127,7 @@ def generate_rfe_json(smcA, smcB):
systemB = openfe.ChemicalSystem({'ligand': a_smcB})
dag = protocol.create(
stateA=systemA, stateB=systemB, mapping={'ligands': mapping}
stateA=systemA, stateB=systemB, mapping=mapping
)
execute_and_serialize(dag, protocol, "RHFEProtocol")