Dear all,
I would like to calculate a RDF for a pair from two different groups, for example, Zn-O (Oxygen of water) pair from in the system Zn(ClO4)2 / H2O ?. I can define two sets Zn2+ and H2O and calculate the RDF between them but I would like to exclude the contribution of H. Can you please suggest a solution?
Best,
Trang