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MdTraj atom mapping fix
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ChiCheng45 committed Jan 3, 2025
1 parent 3e22958 commit 2a64111
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion MDANSE/Src/MDANSE/Framework/Converters/MDTraj.py
Original file line number Diff line number Diff line change
Expand Up @@ -122,8 +122,8 @@ def initialize(self):
element = get_element_from_mapping(
self.configuration["atom_aliases"]["value"],
at.name,
residue=at.residue.name,
symbol=at.element.symbol,
residue=at.residue.name,
number=at.element.number,
mass=at.element.mass,
)
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