Hi,
I have got two molecules of flufenamic acid (FFA) dispersed in 3000 molecules of water. I would like to analyse the aggregation of FFA and also its interaction with water using RDF. How do I select the atoms for analysis. do i select all atoms in the 2 FFA molecule and create a set for them. Then select all the water molecules and create a 2nd set and then analysis RDF of the 2sets?