have bending as threefold tuple

marrink-lab · Sep 24, 2023 · 0cda66e · 0cda66e
1 parent e64c2df
commit 0cda66e
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/polyply/src/build_file_parser.py b/polyply/src/build_file_parser.py
@@ -182,7 +182,7 @@ def _bending(self, line, lineno=0):
         directive and stores it.
         """
         resA, resB, resC, bending_const = line.split()
-        self.topology.bending[frozenset([resA, resB, resC])] = float(bending_const)
+        self.topology.bending[(resA, resB, resC)] = float(bending_const)
 
     def finalize_section(self, previous_section, ended_section):
         """