GEOM - NON_BONDED_DISTANCES
NON-BONDED_DISTANCES dmax dmin
Makes a listing of unique interatomic distances with e.s.d. (excluding bonds) up to the
sum of the van def Waals radii, showing symmetry transformations, lattice translations
and equivalent position coordinates. Contacts are defined by the covalent and van der
Waals radii, unless dmax is nonzero. In that case contacts are distances
between the sum of the covalent radii and dmax, or between dmin and dmax if dmin is
also given. The search algorithm is described by Rollett, 1965.