I would like to make a handful of mutations that are not necessarily in
sequential order in the primary structure. I would like to preserve the
backbone of the model and to keep fixed all side-chains except those of
the mutations and possibly nearby residues, which are to be moved ONLY
if necessary to void steric clashes.
Thus far I have tried
Selecting all but the mutated atoms and setting
env.edat.nonbonded_sel_atoms = 2