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DynaMate
Commit ec2fa5e4 by cassandra
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[fix] file name issue

parent 1315866d
Showing with 1 additions and 1 deletions
src/agents/md_agent.py
...@@ -89,7 +89,7 @@ class MDAgent(BaseAgent): ...@@ -89,7 +89,7 @@ class MDAgent(BaseAgent):
"{pdb_id}_prepared_capped.pdb", "{pdb_id}_prepared_capped.pdb",
"{pdb_id}_prepared_capped_his.pdb", "{pdb_id}_prepared_capped_his.pdb",
["{ligand_name}_h.prepi", "{ligand_name}_1_h.prepi"], ["{ligand_name}_h.prepi", "{ligand_name}_1_h.prepi"],
"{ligand_name}.frcmod", ["{ligand_name}.frcmod", "{ligand_name}_h.frcmod"],
"complex.pdb", "complex.pdb",
"complex.prmtop", "complex.prmtop",
"complex.inpcrd", "complex.inpcrd",
......
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