Use ListOfLists in gmx_mtop_t and gmx_localtop_t

[alexxy/gromacs.git] / src / gromacs / nbnxm / benchmark / bench_setup.cpp

diff --git a/src/gromacs/nbnxm/benchmark/bench_setup.cpp b/src/gromacs/nbnxm/benchmark/bench_setup.cpp
index f3d6b27526a0eee43ed7f1786b5ed1772d0f812c..c2c2328f66508dda20d36da78c8cfa96777c1e63 100644 (file)
--- a/src/gromacs/nbnxm/benchmark/bench_setup.cpp
+++ b/src/gromacs/nbnxm/benchmark/bench_setup.cpp
@@ -223,7 +223,7 @@ static std::unique_ptr<nonbonded_verlet_t> setupNbnxmForBenchInstance(const Kern
                       { 0, int(system.coordinates.size()) }, atomDensity, atomInfo,
                       system.coordinates, 0, nullptr);
 
-    nbv->constructPairlist(gmx::InteractionLocality::Local, &system.excls, 0, &nrnb);
+    nbv->constructPairlist(gmx::InteractionLocality::Local, system.excls, 0, &nrnb);
 
     t_mdatoms mdatoms;
     // We only use (read) the atom type and charge from mdatoms