Multiple dihedral terms are limited to a maximum of 5 terms per dihedral angle. The harmonic restoring potential for dihedrals is not implemented, terms with periodicity 0 are treated as an additive constant.Improper dihedral angle potential:
Only the harmonic restoring potential is implemented. Terms with non-zero periodicity are not supported, and will lead to program termination.Hydrogen bond potential: not implemented.
Extended electrostatics (multipole expansion of long range electrostatic interactions): not implemented.
Nonbonded energy cutoff:
The nonbonded energy cutoff is always atom based. Charge group based cutoff is not implemented. If a cutoff is used, the nonbonded energy terms will be modified by either switching or shifting. Forced based shifting and switching are not implemented.