ITYPE ("nstlist", ir->nstlist, 10);
CTYPE ("ns algorithm (simple or grid)");
EETYPE("ns-type", ir->ns_type, ens_names);
- /* set ndelta to the optimal value of 2 */
- ir->ndelta = 2;
CTYPE ("Periodic boundary conditions: xyz, no, xy");
EETYPE("pbc", ir->ePBC, epbc_names);
EETYPE("periodic-molecules", ir->bPeriodicMols, yesno_names);