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tsoc
openmm
Commits
c52a3d25
Commit
c52a3d25
authored
Mar 04, 2014
by
Mike Garrahan
Browse files
fix bug in Reference CustomCompoundBondForce
parent
8369f91d
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platforms/reference/src/SimTKReference/ReferenceCustomCompoundBondIxn.cpp
...nce/src/SimTKReference/ReferenceCustomCompoundBondIxn.cpp
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platforms/reference/src/SimTKReference/ReferenceCustomCompoundBondIxn.cpp
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c52a3d25
...
...
@@ -124,7 +124,7 @@ void ReferenceCustomCompoundBondIxn::calculateOneIxn(int bond, vector<RealVec>&
// Compute all of the variables the energy can depend on.
const
vector
<
int
>&
atoms
=
bondAtoms
[
0
];
const
vector
<
int
>&
atoms
=
bondAtoms
[
bond
];
for
(
int
i
=
0
;
i
<
(
int
)
particleTerms
.
size
();
i
++
)
{
const
ParticleTermInfo
&
term
=
particleTerms
[
i
];
variables
[
term
.
name
]
=
atomCoordinates
[
term
.
atom
][
term
.
component
];
...
...
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