Esempio n. 1
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 def initialize_topology(self, rst7_name=None):
     """
     Initializes topology data structures, like the list of atoms, bonds,
     etc., after the topology file has been read. The following methods are
     called:
     """
     self.LJ_14_radius = []
     self.LJ_14_depth = []
     AmberParm.initialize_topology(self, rst7_name)
Esempio n. 2
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 def initialize_topology(self, rst7_name=None):
     """
     Initializes topology data structures, like the list of atoms, bonds,
     etc., after the topology file has been read. The following methods are
     called:
     """
     self.LJ_14_radius = []
     self.LJ_14_depth = []
     AmberParm.initialize_topology(self, rst7_name)