[fix] file name issue

ec2fa5e4 · cassandra · 1315866d · ec2fa5e4
Commit ec2fa5e4 authored Jan 28, 2026 by cassandra
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src/agents/md_agent.py
+1 -1

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--- a/src/agents/md_agent.py
+++ b/src/agents/md_agent.py
@@ -89,7 +89,7 @@ class MDAgent(BaseAgent):
            "{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}.frcmod", "{ligand_name}_h.frcmod"],
            "complex.pdb",
            "complex.prmtop",
            "complex.inpcrd",