From e15abb8b09b09fd0b183cd4a281eb4af051c3b50 Mon Sep 17 00:00:00 2001 From: Fawzi Mohamed Date: Wed, 16 May 2018 17:38:58 +0200 Subject: [PATCH] Make at least the enertest pass --- parser/parser-charmm/CHARMMParser.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/parser/parser-charmm/CHARMMParser.py b/parser/parser-charmm/CHARMMParser.py index 17c6eee..304a759 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) -- GitLab