pull_group_work_t* pg,
gmx_bool bConstraint,
const ivec pulldim_con,
- const gmx_mtop_t* mtop,
+ const gmx_mtop_t& mtop,
const t_inputrec* ir,
real lambda)
{
/* In parallel, store we need to extract localWeights from weights at DD time */
std::vector<real>& weights = ((cr && PAR(cr)) ? pg->globalWeights : pg->localWeights);
- const SimulationGroups& groups = mtop->groups;
+ const SimulationGroups& groups = mtop.groups;
/* Count frozen dimensions and (weighted) mass */
int nfrozen = 0;
struct pull_t* init_pull(FILE* fplog,
const pull_params_t* pull_params,
const t_inputrec* ir,
- const gmx_mtop_t* mtop,
+ const gmx_mtop_t& mtop,
const t_commrec* cr,
gmx::LocalAtomSetManager* atomSets,
real lambda)