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tsoc
openmm
Commits
d2fbd46b
Commit
d2fbd46b
authored
Mar 14, 2012
by
Peter Eastman
Browse files
Inverse mass was initialized incorrectly
parent
84b5dc78
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platforms/reference/src/SimTKReference/ReferenceBrownianDynamics.cpp
...eference/src/SimTKReference/ReferenceBrownianDynamics.cpp
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platforms/reference/src/SimTKReference/ReferenceBrownianDynamics.cpp
View file @
d2fbd46b
...
@@ -144,7 +144,7 @@ void ReferenceBrownianDynamics::update(const OpenMM::System& system, vector<Real
...
@@ -144,7 +144,7 @@ void ReferenceBrownianDynamics::update(const OpenMM::System& system, vector<Real
for
(
int
ii
=
0
;
ii
<
numberOfAtoms
;
ii
++
){
for
(
int
ii
=
0
;
ii
<
numberOfAtoms
;
ii
++
){
if
(
masses
[
ii
]
==
zero
)
if
(
masses
[
ii
]
==
zero
)
inverseMasses
[
ii
]
=
=
zero
;
inverseMasses
[
ii
]
=
zero
;
else
else
inverseMasses
[
ii
]
=
one
/
masses
[
ii
];
inverseMasses
[
ii
]
=
one
/
masses
[
ii
];
}
}
...
...
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