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tsoc
openmm
Commits
691aa78c
"openmmapi/src/RGForceImpl.cpp" did not exist on "99cebd08f8949f4984fe862601046e89620678d2"
Commit
691aa78c
authored
Jun 25, 2020
by
Charlles Abreu
Browse files
Bug fix
parent
5270f858
Changes
1
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wrappers/python/simtk/openmm/app/metadynamics.py
wrappers/python/simtk/openmm/app/metadynamics.py
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wrappers/python/simtk/openmm/app/metadynamics.py
View file @
691aa78c
...
@@ -293,7 +293,7 @@ class BiasVariable(object):
...
@@ -293,7 +293,7 @@ class BiasVariable(object):
self
.
minValue
=
self
.
_standardize
(
minValue
)
self
.
minValue
=
self
.
_standardize
(
minValue
)
self
.
maxValue
=
self
.
_standardize
(
maxValue
)
self
.
maxValue
=
self
.
_standardize
(
maxValue
)
self
.
biasWidth
=
self
.
_standardize
(
biasWidth
)
self
.
biasWidth
=
self
.
_standardize
(
biasWidth
)
if
not
isinstance
(
periodic
,
B
ool
):
if
not
isinstance
(
periodic
,
b
ool
):
raise
ValueError
(
"BiasVariable: invalid argument"
)
raise
ValueError
(
"BiasVariable: invalid argument"
)
self
.
periodic
=
periodic
self
.
periodic
=
periodic
if
gridWidth
is
None
:
if
gridWidth
is
None
:
...
...
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