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tsoc
openmm
Commits
74c86e70
Commit
74c86e70
authored
Mar 03, 2017
by
Rafal P. Wiewiora
Browse files
fix test
parent
175b1123
Changes
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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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74c86e70
...
...
@@ -837,7 +837,7 @@ ATOM 60 OXT GLU A 4 26.692 14.850 11.569 1.00 0.00 O
</PeriodicTorsionForce>
</ForceField>
"""
pdb_
=
P
B
DFile
(
StringIO
(
pdb
))
pdb_
=
PD
B
File
(
StringIO
(
pdb
))
# ff1 uses default ordering of impropers, ff2 uses "amber" for the one
# problematic improper
ff1
=
ForceField
(
'amber99sbildn.xml'
)
...
...
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