I am running a simple simulation where I have 60 molecules and each molecule has 2 types of atoms, type 1 and type 2.
I am trying to exclude pairwise interactions between atoms in the same molecule (intramolecular), but I need pairwise interactions between atoms in different molecules (intermolecular).
I couldn't figure out how to do this. Since there is no combined molecule id and type exclusion option in "neigh_modify exclude".
Something like this : "neigh_modify exclude molecule 1 type 1 1" (it doesn't exist)
if I use "neigh_modify exclude type 1 1", it will exclude intermolecular interaction as well.
Do you know any way of excluding intramolecular pairwise interactions without excluding intermolecular ones ?
Thanks in advance,