I am simulating a box of water molecules, and I would like to output the pair interaction force and energy distribution over radius between O-O, O-H, and H-H interactions. I believe this can be done using something like:
compute ID GROUPID pair/local eng force
dump ID GROUPID local 1000 name.dump index c_ID c_ID
However, I am not getting a reasonable output from this. Can someone explain to me how this is properly done? Should a compute be done separately for each interaction (OO, OH, HH) corresponding to the GROUPID?