"platforms/reference/tests/TestReferenceQTBIntegrator.cpp" did not exist on "2f553a66c61be51c2f5ac6021857f5fa48c0b9ba"
Commit cd391b1b authored by Stephen Constable's avatar Stephen Constable
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Initial Commit(2)

These lines were missed previously
parent 30fc8eb1
......@@ -570,6 +570,7 @@ class GromacsTopFile(object):
The solvent dielectric constant to use in the implicit solvent
model.
ewaldErrorTolerance : float=0.0005
The error tolerance to use if nonbondedMethod is Ewald, PME or LJPME.
removeCMMotion : boolean=True
If true, a CMMotionRemover will be added to the System
hydrogenMass : mass=None
......@@ -918,6 +919,8 @@ class GromacsTopFile(object):
ff.LJPME:mm.NonbondedForce.LJPME}
nb.setNonbondedMethod(methodMap[nonbondedMethod])
nb.setCutoffDistance(nonbondedCutoff)
if self._defaults[1] == '2':
nb.setEwaldErrorTolerance(ewaldErrorTolerance)
# Adjust masses.
......
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