loos.pyloos.NAMDBin Namespace Reference

Classes
class	NAMDBin

Variables
str	model_file = "namd.psf"
	model = loos.createSystem(model_file)
	model2 = copy(model)
	nb = NAMDBin("npgt_restart.100.vel", model)
	velocities
	nb2 = NAMDBin("foo.vel", model2)
	m1 = model[i].velocities()
	m2 = model2[i].velocities()
tuple	d = (m2 - m1).length()

Detailed Description

NAMDBin reads and writes the binary format used by NAMDBin
for restart files.  I've written it to support coordinates
and velocities, because that's what LOOS supports, but the
same format is also used to store forces.

Alan Grossfield
University of Rochester Medical Center
2017