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tsoc
openmm
Commits
af74717d
"platforms/reference/vscode:/vscode.git/clone" did not exist on "bce051310d3c0807985854079a911004907b2841"
Commit
af74717d
authored
Mar 14, 2015
by
kyleabeauchamp
Browse files
Fix bug in dcd box vector writing.
parent
7f8c5089
Changes
1
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wrappers/python/simtk/openmm/app/dcdfile.py
wrappers/python/simtk/openmm/app/dcdfile.py
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wrappers/python/simtk/openmm/app/dcdfile.py
View file @
af74717d
...
...
@@ -112,8 +112,8 @@ class DCDFile(object):
file
.
seek
(
0
,
os
.
SEEK_END
)
boxVectors
=
self
.
_topology
.
getPeriodicBoxVectors
()
if
boxVectors
is
not
None
:
if
getP
eriodicBoxVectors
is
not
None
:
boxVectors
=
getP
eriodicBoxVectors
if
p
eriodicBoxVectors
is
not
None
:
boxVectors
=
p
eriodicBoxVectors
elif
unitCellDimensions
is
not
None
:
if
is_quantity
(
unitCellDimensions
):
unitCellDimensions
=
unitCellDimensions
.
value_in_unit
(
nanometers
)
...
...
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