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tsoc
openmm
Commits
4c2be2fd
"...cpu/ssh:/git@developer.sourcefind.cn:2222/tsoc/openmm.git" did not exist on "db4cefd411f996151f8ca691dade6cfd6f5e0ee1"
Commit
4c2be2fd
authored
Mar 14, 2015
by
kyleabeauchamp
Browse files
Fix extra text in comment.
parent
5061f42d
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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 @
4c2be2fd
...
...
@@ -122,7 +122,7 @@ class DCDFile(object):
boxVectors
=
(
Vec3
(
unitCellDimensions
[
0
],
0
,
0
),
Vec3
(
0
,
unitCellDimensions
[
1
],
0
),
Vec3
(
0
,
0
,
unitCellDimensions
[
2
]))
*
nanometers
(
a_length
,
b_length
,
c_length
,
alpha
,
beta
,
gamma
)
=
computeLengthsAndAngles
(
boxVectors
)
a_length
=
a_length
/
10.
# computeLengthsAndAngles returns unitless nanometers, but need angstroms here.
b_length
=
b_length
/
10.
# computeLengthsAndAngles returns unitless nanometers, but need angstroms here.
.value_in_unit(angstroms)
b_length
=
b_length
/
10.
# computeLengthsAndAngles returns unitless nanometers, but need angstroms here.
c_length
=
c_length
/
10.
# computeLengthsAndAngles returns unitless nanometers, but need angstroms here.
angle1
=
math
.
sin
(
math
.
pi
/
2
-
gamma
)
angle2
=
math
.
sin
(
math
.
pi
/
2
-
beta
)
...
...
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