CharmmRstFile Class Reference

Reads and parses data, velocities and coordinates from a CHARMM restart file (.rst) of file name 'fname' into class attributes. More...

List of all members.

Public Member Functions
def	__init__
def	printcoords
Public Attributes
	header
	title
	enrgstat
	positionsold
	positions
	velocities
	ff_version
	natom
	npriv
	nstep
	nsavc
	nsavv
	jhstrt

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Detailed Description

Reads and parses data, velocities and coordinates from a CHARMM restart file (.rst) of file name 'fname' into class attributes.

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Constructor & Destructor Documentation

def __init__	(		self,
			fname
	)

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Member Function Documentation

def printcoords	(		self,
			crds
	)

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Member Data Documentation

enrgstat

ff_version

header

jhstrt

natom

npriv

nsavc

nsavv

nstep

positions

positionsold

title

velocities

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

• charmmcrdfiles.py