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tsoc
openmm
Commits
471f760f
"docs-source/OpenMMUsersGuide.doc" did not exist on "f3935f4eb4bd4a20c4c091188dc06439e2619bc5"
Commit
471f760f
authored
Feb 19, 2016
by
ChayaSt
Browse files
fixed docstring for creatFroce
parent
208d5240
Changes
1
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wrappers/python/simtk/openmm/app/forcefield.py
wrappers/python/simtk/openmm/app/forcefield.py
+3
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wrappers/python/simtk/openmm/app/forcefield.py
View file @
471f760f
...
@@ -1708,16 +1708,9 @@ class NBFixGenerator(object):
...
@@ -1708,16 +1708,9 @@ class NBFixGenerator(object):
generator
.
registerNBFix
(
nbfix
.
attrib
)
generator
.
registerNBFix
(
nbfix
.
attrib
)
def
createForce
(
self
,
sys
,
data
,
nonbondedMethod
,
nonbondedCutoff
,
args
):
def
createForce
(
self
,
sys
,
data
,
nonbondedMethod
,
nonbondedCutoff
,
args
):
"""
""" Ewald and PME will be interpreted as CutoffPeriodic for the CustomNonbondedForce """
Parameters
----------
# First check if there are at least two atoms in the system that have nbfix
sys
data
nonbondedMethod: NonbondedMethod (e.g., NoCutoff, PME, etc)
The nonbonded method to apply here. Ewald and PME will be interpreted as CutoffPeriodic for the
CustomNonbondedForce
"""
# First check if there are at least two atoms in the system that need nbfix
self
.
NBFIX
=
False
self
.
NBFIX
=
False
for
a
in
data
.
atoms
:
for
a
in
data
.
atoms
:
atype
=
data
.
atomType
[
a
]
atype
=
data
.
atomType
[
a
]
...
...
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