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tsoc
openmm
Commits
893385f1
Commit
893385f1
authored
Jan 26, 2018
by
peastman
Browse files
Merge branch 'master' of
https://github.com/SimTk/openmm
parents
f4dc3110
30d4a4bb
Changes
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wrappers/python/simtk/openmm/app/charmmpsffile.py
wrappers/python/simtk/openmm/app/charmmpsffile.py
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wrappers/python/simtk/openmm/app/charmmpsffile.py
View file @
893385f1
...
...
@@ -740,7 +740,7 @@ class CharmmPsfFile(object):
raise a ValueError
"""
# Load the parameter set
self
.
loadParameters
(
params
.
condense
()
)
self
.
loadParameters
(
params
)
hasbox
=
self
.
topology
.
getUnitCellDimensions
()
is
not
None
# Check GB input parameters
if
implicitSolvent
is
not
None
and
gbsaModel
not
in
(
'ACE'
,
None
):
...
...
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