Interaction energy matching using GROMACS. More...

Inheritance diagram for src.gmxio.Interaction_GMX:

Collaboration diagram for src.gmxio.Interaction_GMX:

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

Public Attributes
	engine_
	Default file names for coordinates, top and mdp files. More...

Detailed Description

Interaction energy matching using GROMACS.

Definition at line 1646 of file gmxio.py.

Constructor & Destructor Documentation

def src.gmxio.Interaction_GMX.__init__	(	self,
		options,
		tgt_opts,
		forcefield
	)

Definition at line 1647 of file gmxio.py.

Here is the call graph for this function:

src.gmxio.Interaction_GMX.engine_

Default file names for coordinates, top and mdp files.

Definition at line 1652 of file gmxio.py.

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