Molecular Systems

DL_POLY_2 will simulate the following molecular species:

1. Simple atomic systems and mixtures e.g. Ne, Ar, Kr, etc.
2. Simple unpolarisable point ions e.g. NaCl, KCl, etc.
3. Polarisable point ions and molecules e.g. MgO, H$_{2}$O etc.D
4. Simple rigid molecules e.g. CCl$_{4}$, SF$_{6}$, Benzene, etc.
5. Rigid molecular ions with point charges e.g. KNO$_{3}$, (NH$_{4}$)$_{2}$SO$_{4}$, etc.
6. Polymers with rigid bonds e.g. C$_{n}$H$_{2n+2}$
7. Polymers with rigid bonds and point charges e.g. proteins
8. Macromolecules and biological systems
9. Molecules with flexible bonds
10. Silicate glasses and zeolites
11. Simple metals e.g. Al, Ni, Cu etc.

DL_MULTI will simulate the following molecular species:

1. Simple rigid molecules e.g. CCl$_{4}$, SF$_{6}$, Benzene, etc.
2. Rigid molecular ions with point charges e.g. KNO$_{3}$, (NH$_{4}$)$_{2}$SO$_{4}$, etc.
3. Systems which consist of mixtures of different types of molecule.

However, the following systems cannot be treated.

1. Molecules with flexible bonds