Simplify t_forcerec destruction
[alexxy/gromacs.git] / src / gromacs / nbnxm / benchmark / bench_setup.cpp
index ecfe6af14de3ee1e349ed0f3d2d3a0679f376120..f3d6b27526a0eee43ed7f1786b5ed1772d0f812c 100644 (file)
@@ -199,7 +199,7 @@ static std::unique_ptr<nonbonded_verlet_t> setupNbnxmForBenchInstance(const Kern
                                                     std::move(atomData), kernelSetup, nullptr, nullptr);
 
     nbnxn_atomdata_init(gmx::MDLogger(), nbv->nbat.get(), kernelSetup.kernelType, combinationRule,
-                        system.numAtomTypes, system.nonbondedParameters.data(), 1, numThreads);
+                        system.numAtomTypes, system.nonbondedParameters, 1, numThreads);
 
     t_nrnb nrnb;