diff --git a/parser/parser-charmm/CHARMMParser.py b/parser/parser-charmm/CHARMMParser.py index 17c6eee3732ef365ddd851d9ca3d9b3380ba4232..304a759ea27cac4d6eca6c6e003e8d13f3c21f23 100644 --- a/parser/parser-charmm/CHARMMParser.py +++ b/parser/parser-charmm/CHARMMParser.py @@ -250,7 +250,8 @@ class CHARMMParser(SmartParser.ParserBase): self.metaStorage.updateBackend(backend.superBackend, startsection=['section_frame_sequence'], autoopenclose=False) - backend.addValue("frame_sequence_to_sampling_ref", self.secSamplingGIndex) + if self.secSamplingGIndex is not None: + backend.addValue("frame_sequence_to_sampling_ref", self.secSamplingGIndex) backend.addArrayValues("frame_sequence_local_frames_ref", np.asarray(self.singleConfCalcs)) backend.closeSection("section_frame_sequence", frameSequenceGIndex)