Dear researchers
i am following the tutorial http://www.ks.uiuc.edu/Training/Tutorials/namd/PLB/tutorial-protein-ligand.pdf
but in this tutorial its not mentioned how to restrain ligand in the pocket. I am using NAMD and VMD and want to find the binding energies of protein protein complexes. please give me some suggestions.
I am familiar with GROMACS and have performed protein ligand complex simutations and restrains etc. but i don't know how to do it in NAMD. please guide me.
thanks in advance