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# Copyright 2005 Nanorex, Inc. See LICENSE file for details.
from bondage import *
e,p,b = readmmp('ethane.mmp')
bondsetup(b)
dt=1e-16
massacc=array([dt*dt/elmass[x] for x in e])
n=p+massacc*force(p)
x= os.times()
## print 'running...',
## for i in xrange(100000):
## o=p
## p=n
## n=2*p-o+massacc*force(p)
## print os.times()[0]-x[0]
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