set message=off echo=off end restraints dihedral reset !! !! Phi restraints: minimum deviation = 40 degrees !! 3 assign (resid 2 and name c ) (resid 3 and name n ) (resid 3 and name ca) (resid 3 and name c ) 1.0 -120.0 40.0 2 !! 24 !! assign (resid 23 and name c ) (resid 24 and name n ) !! (resid 24 and name ca) (resid 24 and name c ) 1.0 -50.0 40.0 2 !! if 3J > 8Hz then "-120", elseif 3J < 6Hz then "-50" end set message=on echo=on end