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tsoc
openmm
Commits
591c5f92
Commit
591c5f92
authored
Jan 06, 2012
by
Peter Eastman
Browse files
Fixed bug in testInstallation script
parent
7dfc3aea
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examples/testInstallation.py
examples/testInstallation.py
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examples/testInstallation.py
View file @
591c5f92
...
...
@@ -26,7 +26,7 @@ for i in range(numPlatforms):
platform
=
Platform
.
getPlatform
(
i
)
print
i
,
platform
.
getName
(),
integrator
=
LangevinIntegrator
(
300
*
kelvin
,
1
/
picosecond
,
0.002
*
picoseconds
)
simulation
=
Simulation
(
pdb
.
topology
,
system
,
integrator
)
simulation
=
Simulation
(
pdb
.
topology
,
system
,
integrator
,
platform
)
simulation
.
context
.
setPositions
(
pdb
.
positions
)
try
:
forces
[
i
]
=
simulation
.
context
.
getState
(
getForces
=
True
).
getForces
()
...
...
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