Non-bonded interactions are determined residue by residue using a rectangular box search. Switching functions are calculated for every atom-atom pair. SHFT Non-bonded interactions are calculated atom by atom and the potential is shifted to smooth it at the cutoff. EXNQ Extended electrostatics to first order without residue quadrupoles. CONS Similar to ATOM except a constant dielectric is used.
DUMMy Generates an empty non-bonded interaction list.
Once specified, This value is not reset unless respecified. This value is not used with SHFT . Once specified, This value is not reset unless respecified. The default is 0.0. The default is 2.5 for constant dielectric, and 1.0 for r dependent dielectric.