src.amberio.AbInitio_AMBER Class Reference

Subclass of Target for force and energy matching using AMBER. More...

Inheritance diagram for src.amberio.AbInitio_AMBER:

Collaboration diagram for src.amberio.AbInitio_AMBER:

Public Member Functions
def	__init__ (self, options, tgt_opts, forcefield)

Public Attributes
	engine_
	Coordinate file. More...

Detailed Description

Subclass of Target for force and energy matching using AMBER.

Definition at line 1874 of file amberio.py.

Constructor & Destructor Documentation

__init__()

def src.amberio.AbInitio_AMBER.__init__	(		self,
			options,
			tgt_opts,
			forcefield
	)

Definition at line 1877 of file amberio.py.

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Member Data Documentation

engine_

src.amberio.AbInitio_AMBER.engine_

Coordinate file.

PDB file for topology (if different from coordinate file.) AMBER home directory. AMBER home directory. Name of the engine.

Definition at line 1887 of file amberio.py.

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The documentation for this class was generated from the following file:

• amberio.py