[update] gen file name change

src/agents/md_agent.py

@@ -84,12 +84,12 @@ class MDAgent(BaseAgent):
         self.EXPECTED_FILES_TEMPLATE = [
             "{pdb_id}.pdb",
             "{pdb_id}_prepared.pdb",
-            "{ligand_name}.pdb",
+            ["{ligand_name}.pdb", "{ligand_name}_1.pdb"],
             ["{ligand_name}_h.pdb", "{ligand_name}_1_h.pdb"],
             "{pdb_id}_prepared_capped.pdb",
             "{pdb_id}_prepared_capped_his.pdb",
             ["{ligand_name}_h.prepi", "{ligand_name}_1_h.prepi"],
-            ["{ligand_name}.frcmod", "{ligand_name}_h.frcmod"],
+            ["{ligand_name}.frcmod", "{ligand_name}_h.frcmod", "{ligand_name}_1_h.frcmod"],
             "complex.pdb",
             "complex.prmtop",
             "complex.inpcrd",