NOE pseudo-energy potential Generate "fake"energy potentials representing the cost of violating the distance or angle restraints.Here's an example of a distance restraint potential KNoE(r)2 ifryr ifry<r<n KNoE(rru)2 if ry<r where rand r"are the lower and upper bounds of our distance restraint, and KNo is some chosen force constant,typically ~250 kcal mol-1 nm2 So it's somewhat permissible to violate restraints but it raises V 19 NOE pseudo-energy potential • Generate “fake” energy potentials representing the cost of violating the distance or angle restraints. Here’s an example of a distance restraint potential KNOE(rij-rij 1 ) 2 if rij<rij l KNOE(rij-rij u ) 2 if rij>rij u 0 if rij l<rij < rij u VNOE = where rij l and rij u are the lower and upper bounds of our distance restraint, and KNOE is some chosen force constant, typically ~ 250 kcal mol-1 nm-2 So it’s somewhat permissible to violate restraints but it raises V 19