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tsoc
openmm
Commits
c60568b2
"wrappers/vscode:/vscode.git/clone" did not exist on "774a257e38e71d041d672d7e768b4e80aac22e46"
Commit
c60568b2
authored
Apr 16, 2019
by
Peter Eastman
Browse files
Fixed error on older Pythons
parent
78d42678
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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 @
c60568b2
...
...
@@ -5537,7 +5537,7 @@ class HippoNonbondedGenerator(object):
zAtom
=
self
.
_findAxisAtom
(
'zAtomType'
,
extra
,
bonded12
[
atom
.
index
],
None
,
data
,
[])
xAtom
=
self
.
_findAxisAtom
(
'xAtomType'
,
extra
,
bonded12
[
atom
.
index
],
bonded13
[
atom
.
index
],
data
,
[
zAtom
])
yAtom
=
self
.
_findAxisAtom
(
'yAtomType'
,
extra
,
bonded12
[
atom
.
index
],
bonded13
[
atom
.
index
],
data
,
[
zAtom
,
xAtom
])
force
.
addParticle
(
params
[
0
],
dipole
,
quadrupole
,
*
params
[
1
:],
axisType
,
zAtom
,
xAtom
,
yAtom
)
force
.
addParticle
(
params
[
0
],
dipole
,
quadrupole
,
*
params
[
1
:],
axisType
=
axisType
,
multipoleAtomZ
=
zAtom
,
multipoleAtomX
=
xAtom
,
multipoleAtomY
=
yAtom
)
force
.
setNonbondedMethod
(
methodMap
[
nonbondedMethod
])
force
.
setExtrapolationCoefficients
(
self
.
extrapCoeff
)
force
.
setCutoffDistance
(
nonbondedCutoff
)
...
...
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