diff --git a/moltemplate/force_fields/convert_OPLSAA_to_LT/oplsaa2lt_classes.py b/moltemplate/force_fields/convert_OPLSAA_to_LT/oplsaa2lt_classes.py index c65fd6f..5dae4e9 100755 --- 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 ""