SC optimization in sc_move.F

A simple change in the sc_move function can make a significant improvement in optimizing side chain positions with respect to fixed backbone. I find it quite useful with MINIM, I can see its value in CSA, I am not sure about MD. The code change takes the parameter n_maxtry and reinterprets it. n_maxtry is used not as the maximum total tries to lower the energy but as the maximum consecutive tries not producing a lower energy by more than 0.5 kcal/mol; an indication of convergence. Since side chain optimization is much faster than total energy optimization, the extra time in sc_move is negligible while producing (nearly) converged side chain rotamers.

I have two diff files with my changes, how can I upload it on the Forum?

István