Exercise 1 - Partial g(r)

While the ion-ion radial distribution functions give us a general picture of the liquid structure, there are some specific interaction sites which drive a lot of the finer details. In the present ionic liquid those interactions are between the ring hydrogens of the imidazolium (which have been assigned the HCR and HCW atom types) and the acetate oxygen atoms. The asymmetry of the cation and the different chemistry of the ring hydrogens means that the partial g(r) for all three sites are going to be slightly different.

Tips:

1. You’ll need to add individual analysis sites for the oxygen atoms of the acetate anion, and reference both in the analysis layers.