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Extract nbnxm PairlistSets
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
md.cpp
diff --git
a/src/gromacs/mdrun/md.cpp
b/src/gromacs/mdrun/md.cpp
index 5e1db3704fc98b51ea4a078ee82540d02a62d1ef..fc45d55448dd2d82608d42735db854e4ad02954c 100644
(file)
--- a/
src/gromacs/mdrun/md.cpp
+++ b/
src/gromacs/mdrun/md.cpp
@@
-413,7
+413,7
@@
void gmx::Integrator::do_md()
if (bPMETune)
{
pme_loadbal_init(&pme_loadbal, cr, mdlog, *ir, state->box,
- *fr->ic,
fr->nbv->pairlistSets().params()
, fr->pmedata, fr->nbv->useGpu(),
+ *fr->ic,
*fr->nbv
, fr->pmedata, fr->nbv->useGpu(),
&bPMETunePrinting);
}