added an extra _ before the duplicate counter in oplsaa2lt.py (BOSS f…

…orce field converter)
jewettaij · Nov 29, 2024 · 062e85e · 062e85e
1 parent 0426385
commit 062e85e
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/moltemplate/force_fields/convert_OPLSAA_to_LT/oplsaa2lt_classes.py b/moltemplate/force_fields/convert_OPLSAA_to_LT/oplsaa2lt_classes.py
@@ -198,7 +198,7 @@ def _duplicate_count_str(self) -> str:
         # acting on the same atom types, then
         # add a unique integer to the name of this interaction type.
         if self.duplicate_count > 0:
-            return f"_{self.duplicate_count}"
+            return f"__{self.duplicate_count}"
         return ""