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Make orires work with DD particle reordering
[alexxy/gromacs.git]
/
src
/
gromacs
/
listed_forces
/
listed_forces.cpp
diff --git
a/src/gromacs/listed_forces/listed_forces.cpp
b/src/gromacs/listed_forces/listed_forces.cpp
index 893a1d306cd0ceb17b9e612a76ca8f4fcb2dc061..ad01d3fba15b7333f1c8eaee54180a4041b0762e 100644
(file)
--- a/
src/gromacs/listed_forces/listed_forces.cpp
+++ b/
src/gromacs/listed_forces/listed_forces.cpp
@@
-854,12
+854,10
@@
void ListedForces::calculate(struct gmx_wallcycle* wcycle,
idef.il[F_ORIRES].size(),
idef.il[F_ORIRES].iatoms.data(),
idef.iparams.data(),
- md,
xWholeMolecules,
x,
fr->bMolPBC ? pbc : nullptr,
- fcdata->orires.get(),
- hist);
+ fcdata->orires.get());
}
if (fcdata->disres->nres > 0)
{