Test Case 10: DNA strand in water

This system consists of a strand of DNA 1260 atoms in length in a solution of 706 (SPC) water molecules. The DNA is aligned in the Z-direction and hexagonal prism periodic boundary conditions applied. The electrostatic interactions are calculated using the Smoothed Particle Mesh Ewald method. Note that the system has a strong overall negative charge which is strongly anisotropic in distribution. The short range forces are taken from the Dreiding force field, and constraints are used for all covalent bonds. For simplicity H-bonds are treated as harmonic bonds with an equilibrium bondlength of 1.724 $\AA$.