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tsoc
openmm
Commits
f8736c60
Unverified
Commit
f8736c60
authored
Apr 10, 2018
by
peastman
Committed by
GitHub
Apr 10, 2018
Browse files
Merge pull request #2044 from JoaoRodrigues/switchfix
Fixed reference to self.force when using a switch function for LJ
parents
31d0993f
b571e82c
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wrappers/python/simtk/openmm/app/forcefield.py
wrappers/python/simtk/openmm/app/forcefield.py
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wrappers/python/simtk/openmm/app/forcefield.py
View file @
f8736c60
...
...
@@ -2448,8 +2448,8 @@ class LennardJonesGenerator(object):
else
:
raise
AssertionError
(
'Unrecognized nonbonded method [%s]'
%
nonbondedMethod
)
if
args
[
'switchDistance'
]
is
not
None
:
force
.
setUseSwitchingFunction
(
True
)
force
.
setSwitchingDistance
(
args
[
'switchDistance'
])
self
.
force
.
setUseSwitchingFunction
(
True
)
self
.
force
.
setSwitchingDistance
(
args
[
'switchDistance'
])
# Add the particles
...
...
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