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tsoc
openmm
Commits
98771719
"platforms/cuda/vscode:/vscode.git/clone" did not exist on "b619675415da2666ed773109b025da6541a7eb4a"
Commit
98771719
authored
Jul 14, 2011
by
Mark Friedrichs
Browse files
Minor mod for torsion-torsion
parent
b6790d94
Changes
1
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-3
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceTorsionTorsionForce.cpp
...src/SimTKReference/AmoebaReferenceTorsionTorsionForce.cpp
+3
-3
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plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceTorsionTorsionForce.cpp
View file @
98771719
...
@@ -575,7 +575,7 @@ RealOpenMM AmoebaReferenceTorsionTorsionForce::calculateForceAndEnergy( int numT
...
@@ -575,7 +575,7 @@ RealOpenMM AmoebaReferenceTorsionTorsionForce::calculateForceAndEnergy( int numT
RealVec
forces
[
5
];
RealVec
forces
[
5
];
RealVec
*
chiralCheckAtom
;
RealVec
*
chiralCheckAtom
;
if
(
chiralCheckAtomIndex
>
=
0
){
if
(
chiralCheckAtomIndex
>
-
1
){
chiralCheckAtom
=
&
posData
[
chiralCheckAtomIndex
];
chiralCheckAtom
=
&
posData
[
chiralCheckAtomIndex
];
}
else
{
}
else
{
chiralCheckAtom
=
NULL
;
chiralCheckAtom
=
NULL
;
...
...
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