dear all
I calculate the interaction energy between one chain of Polymer(layer1) and nanoparticle (layer2) using the interaction energy script. the results are organized in a study table
# how to describe and understand the nature of these interaction energy values (repulsive, attractive, or strongly attractive inrt..) and which value denotes the best result?
# how to identify the functional groups in the monomer?
Any help would be highly appreciated.