Commit 471f760f authored by ChayaSt's avatar ChayaSt
Browse files

fixed docstring for creatFroce

parent 208d5240
...@@ -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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