I hope I placed this question in the proper place. If not please let me know.
I am attempting to computationally dock peptides/proteins to metal oxides etc..What is the most approbriate code to use RossettaSurface or Lammps? At the moment, I have installed PyRosetta and Lammps. Since there is a learning curve using these codes, I would like to select the best one to meet my needs. With LAMMPS, I believe there is versatility (i.e. alter atom types etc..); but I don't know about RosettaSurface..
Any advice in this area would be welcomed...