diff --git a/common/python/nomadcore/md_data_access/MDDataAccess.py b/common/python/nomadcore/md_data_access/MDDataAccess.py index d762bc805aff5c48fde1eca2b7d1f5282c8c902e..36c76b87e16f666f22c24bff094d277768283960 100644 --- a/common/python/nomadcore/md_data_access/MDDataAccess.py +++ b/common/python/nomadcore/md_data_access/MDDataAccess.py @@ -957,6 +957,7 @@ class MDDataAccess(object): } def initialize(self): + self.natoms = None self.topology = None # Main storage for topology data self.trajectory = None # Main storage for trajectory data self.forcefield = None # Main storage for force field parameters