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Commit 8244403c authored by Robert McGibbon's avatar Robert McGibbon
Browse files

Simpler use of quantity

parent ecd87763
......@@ -31,9 +31,9 @@ from simtk import openmm as mm
from simtk.openmm.app import forcefield as ff
from simtk.openmm.app import Element, Topology, PDBFile
from simtk.openmm.app.element import hydrogen
from simtk.unit import (Quantity, nanometer, angstrom, dalton,
from simtk.unit import (nanometer, angstrom, dalton, radian,
kilocalorie_per_mole, kilojoule_per_mole,
radian, degree, elementary_charge)
degree, elementary_charge)
class DesmondDMSFile(object):
......@@ -126,7 +126,7 @@ class DesmondDMSFile(object):
return top, positions
def createSystem(self, nonbondedMethod=ff.NoCutoff, nonbondedCutoff=Quantity(value=1.0, unit=nanometer),
def createSystem(self, nonbondedMethod=ff.NoCutoff, nonbondedCutoff=1.0*nanometer,
ewaldErrorTolerance=0.0005, removeCMMotion=True, hydrogenMass=None):
'''Construct an OpenMM System representing the topology described by this dms file
......
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