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tsoc
openmm
Commits
6b7ef87f
Commit
6b7ef87f
authored
Mar 08, 2016
by
ChayaSt
Browse files
changed AtomTypePair to NBFixPair
parent
06428115
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wrappers/python/tests/TestForceField.py
wrappers/python/tests/TestForceField.py
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wrappers/python/tests/TestForceField.py
View file @
6b7ef87f
...
@@ -581,7 +581,7 @@ class AmoebaTestForceField(unittest.TestCase):
...
@@ -581,7 +581,7 @@ class AmoebaTestForceField(unittest.TestCase):
<LennardJonesForce lj14scale="1.0">
<LennardJonesForce lj14scale="1.0">
<Atom type="CLA" sigma="0.404468018036" epsilon="0.6276"/>
<Atom type="CLA" sigma="0.404468018036" epsilon="0.6276"/>
<Atom type="SOD" sigma="0.251367073323" epsilon="0.1962296"/>
<Atom type="SOD" sigma="0.251367073323" epsilon="0.1962296"/>
<
AtomType
Pair type1="CLA" type2="SOD" emin="0.350933" rmin="0.3731"/>
<
NBFix
Pair type1="CLA" type2="SOD" emin="0.350933" rmin="0.3731"/>
</LennardJonesForce>
</LennardJonesForce>
</ForceField> """
</ForceField> """
...
...
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