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tsoc
openmm
Commits
3244fecf
Commit
3244fecf
authored
Jan 02, 2016
by
John Chodera (MSKCC)
Browse files
Fixed simple ffxml file in TestForceField.
parent
48d99fee
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wrappers/python/tests/TestForceField.py
wrappers/python/tests/TestForceField.py
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wrappers/python/tests/TestForceField.py
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3244fecf
...
@@ -295,6 +295,9 @@ class TestForceField(unittest.TestCase):
...
@@ -295,6 +295,9 @@ class TestForceField(unittest.TestCase):
# no external bonds or external bonds to other residues parameterized by the simpleTemplateGenerator.
# no external bonds or external bonds to other residues parameterized by the simpleTemplateGenerator.
simple_ffxml_contents
=
"""
simple_ffxml_contents
=
"""
<ForceField>
<ForceField>
<AtomTypes>
<Type name="XXX" class="XXX" element="C" mass="12"/>
</AtomTypes>
<HarmonicBondForce>
<HarmonicBondForce>
<Bond type1="XXX" type2="XXX" length="0.1409" k="392459.2"/>
<Bond type1="XXX" type2="XXX" length="0.1409" k="392459.2"/>
</HarmonicBondForce>
</HarmonicBondForce>
...
...
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