From 2a6411150d6ca90d89e07f0315e3021bd2bc0e8f Mon Sep 17 00:00:00 2001 From: Chi Cheng Date: Fri, 3 Jan 2025 11:14:17 +0000 Subject: [PATCH] MdTraj atom mapping fix --- MDANSE/Src/MDANSE/Framework/Converters/MDTraj.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/MDANSE/Src/MDANSE/Framework/Converters/MDTraj.py b/MDANSE/Src/MDANSE/Framework/Converters/MDTraj.py index ee397047b..cdd1b9c57 100644 --- a/MDANSE/Src/MDANSE/Framework/Converters/MDTraj.py +++ b/MDANSE/Src/MDANSE/Framework/Converters/MDTraj.py @@ -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, )