std::unique_ptr<gmx::WholeMoleculeTransform> wholeMoleculeTransform;
- int cutoff_scheme = 0; /* group- or Verlet-style cutoff */
- gmx_bool bNonbonded = FALSE; /* true if nonbonded calculations are *not* turned off */
+ int cutoff_scheme = 0; /* group- or Verlet-style cutoff */
/* The Nbnxm Verlet non-bonded machinery */
std::unique_ptr<nonbonded_verlet_t> nbv;