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tsoc
openmm
Commits
6dc080e9
Commit
6dc080e9
authored
Apr 16, 2014
by
Jason Swails
Browse files
Ack. Copy-and-paste errors.
parent
d1414350
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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 @
6dc080e9
...
...
@@ -774,7 +774,7 @@ class CharmmPsfFile(object):
elem
=
element
.
Element
.
getByAtomicNumber
(
atomic_num
)
else
:
# Figure it out from the mass
masselem
=
element
.
Element
.
getByMass
(
mass
)
masselem
=
element
.
Element
.
getByMass
(
atom
.
mass
)
if
masselem
is
None
:
atomic_number
=
0
# Extra point or something
else
:
...
...
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