Subclass of Target for calculating and matching liquid properties using AMBER. More...

Inheritance diagram for src.amberio.Liquid_AMBER:

Collaboration diagram for src.amberio.Liquid_AMBER:

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

Public Attributes
	engine_
	Name of the engine. More...

	gas_engine_args
	AMBER home directory. More...

	scripts

	extra_output

	engname

	nptpfx

	nptfiles

Detailed Description

Subclass of Target for calculating and matching liquid properties using AMBER.

Definition at line 1932 of file amberio.py.

Constructor & Destructor Documentation

◆ init()

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

Definition at line 1935 of file amberio.py.

Here is the call graph for this function:

Member Data Documentation

◆ engine_

src.amberio.Liquid_AMBER.engine_

Name of the engine.

Definition at line 1941 of file amberio.py.

◆ engname

src.amberio.Liquid_AMBER.engname

Definition at line 1953 of file amberio.py.

◆ extra_output

src.amberio.Liquid_AMBER.extra_output

Definition at line 1949 of file amberio.py.

◆ gas_engine_args

src.amberio.Liquid_AMBER.gas_engine_args

AMBER home directory.

Definition at line 1945 of file amberio.py.

◆ nptfiles

src.amberio.Liquid_AMBER.nptfiles

Definition at line 1957 of file amberio.py.

◆ nptpfx

src.amberio.Liquid_AMBER.nptpfx

Definition at line 1955 of file amberio.py.

◆ scripts

src.amberio.Liquid_AMBER.scripts

Definition at line 1947 of file amberio.py.

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

amberio.py

Public Member Functions

Public Attributes