pull_params_t* pull = ir->pull.get();
gmx::LocalAtomSetManager atomSets;
- pull_work = init_pull(nullptr, pull, ir, mtop, nullptr, &atomSets, lambda);
- auto mdAtoms = gmx::makeMDAtoms(nullptr, mtop, *ir, false);
- auto md = mdAtoms->mdatoms();
+ pull_work = init_pull(nullptr, pull, ir, mtop, nullptr, &atomSets, lambda);
+ auto mdAtoms = gmx::makeMDAtoms(nullptr, mtop, *ir, false);
+ auto* md = mdAtoms->mdatoms();
atoms2md(mtop, *ir, -1, {}, mtop.natoms, mdAtoms.get());
if (ir->efep != FreeEnergyPerturbationType::No)
{