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fix bug with get_mapped_path(name=...), the name arg is incorrect, no…
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… arg is needed
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Jgmedina95 committed Jan 31, 2024
1 parent a710acc commit f2cda4f
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion mdagent/tools/base_tools/simulation_tools/setup_and_run.py
Original file line number Diff line number Diff line change
Expand Up @@ -683,7 +683,7 @@ def __init__(
def setup_system(self):
print("Building system...")
self.pdb_id = self.params["pdb_id"]
self.pdb_path = self.path_registry.get_mapped_path(name=self.pdb_id)
self.pdb_path = self.path_registry.get_mapped_path(self.pdb_id)
self.pdb = PDBFile(self.pdb_path)
self.forcefield = ForceField(*self.params["forcefield_files"])
self.system = self._create_system(self.pdb, self.forcefield, **self.sys_params)
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