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tsoc
openmm
Commits
233b9694
Commit
233b9694
authored
Jan 01, 2016
by
Jason Swails
Browse files
Fix syntax error.
parent
e79f1488
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wrappers/python/simtk/openmm/app/internal/customgbforces.py
wrappers/python/simtk/openmm/app/internal/customgbforces.py
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wrappers/python/simtk/openmm/app/internal/customgbforces.py
View file @
233b9694
...
...
@@ -230,7 +230,7 @@ def _bondi_radii(topology):
for
i
,
atom
in
enumerate
(
topology
.
getAtoms
()):
if
atom
.
element
is
E
.
carbon
:
radii
[
i
]
=
1.7
elif
atom
.
element
in
(
E
.
hydrogen
,
E
.
deuterium
)
;
elif
atom
.
element
in
(
E
.
hydrogen
,
E
.
deuterium
)
:
radii
[
i
]
=
1.2
elif
atom
.
element
is
E
.
nitrogen
:
radii
[
i
]
=
1.55
...
...
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