Dear all,
I want to compute the free energy (I am not sure about the terminology here, cohesive energy?, binding energy?) between two cyclic peptides. The system looks like two rings one on top of each other stabilized by hydrogen bonds. The system also contains water and counterions. I would like to know the energy profile of the system of the system in terms of the distance between rings. I am relatively new to materials studio and I am not sure which module should I use to do this type of calculation. I would really appreciate any help. Thank you in advance!