The DL_POLY_2 Force Field

The DL_POLY_2 force field includes the following features:

1. All common forms of non-bonded atom-atom potential;
2. Atom-atom (site-site) Coulombic potentials;
3. Valence angle potentials;
4. Dihedral angle potentials;
5. Inversion potentials;
6. Improper dihedral angle potentials;
7. 3-body valence angle and hydrogen bond potentials;
8. 4-body inversion potentials;
9. Sutton-Chen density dependent potentials (for metals) [7].

The parameters describing these potentials may be obtained, for example, from the GROMOS [3], Dreiding [8] or AMBER [4] forcefield, which share functional forms. It is relatively easy to adapt DL_POLY_2 to user specific force fields.