src.gmxio.Lipid_GMX Class Reference

Inheritance diagram for src.gmxio.Lipid_GMX:

Collaboration diagram for src.gmxio.Lipid_GMX:

Public Member Functions
def	__init__ (self, options, tgt_opts, forcefield)
def	npt_simulation (self, temperature, pressure, simnum)
	Submit a NPT simulation to the Work Queue. More...

Public Attributes
	engine_
	engname
	nptpfx
	nptfiles
	scripts
	extra_output
	LfDict
	LfDict_New
	last_traj

Detailed Description

Definition at line 1549 of file gmxio.py.

Constructor & Destructor Documentation

__init__()

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

Definition at line 1550 of file gmxio.py.

Here is the call graph for this function:

Member Function Documentation

npt_simulation()

def src.gmxio.Lipid_GMX.npt_simulation	(		self,
			temperature,
			pressure,
			simnum
	)

Submit a NPT simulation to the Work Queue.

Definition at line 1592 of file gmxio.py.

Member Data Documentation

engine_

src.gmxio.Lipid_GMX.engine_

Definition at line 1562 of file gmxio.py.

engname

src.gmxio.Lipid_GMX.engname

Definition at line 1564 of file gmxio.py.

extra_output

src.gmxio.Lipid_GMX.extra_output

Definition at line 1582 of file gmxio.py.

last_traj

src.gmxio.Lipid_GMX.last_traj

Definition at line 1622 of file gmxio.py.

LfDict

src.gmxio.Lipid_GMX.LfDict

Definition at line 1587 of file gmxio.py.

LfDict_New

src.gmxio.Lipid_GMX.LfDict_New

Definition at line 1588 of file gmxio.py.

nptfiles

src.gmxio.Lipid_GMX.nptfiles

Definition at line 1570 of file gmxio.py.

nptpfx

src.gmxio.Lipid_GMX.nptpfx

Definition at line 1566 of file gmxio.py.

scripts

src.gmxio.Lipid_GMX.scripts

Definition at line 1573 of file gmxio.py.

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

• gmxio.py