restraints dihedral {} end :== nassign= --{Required parameter that specifies the maximum expected number of assignments. This must be greater than of equal to the actual number.} assign --{Assign a dihedral restraint. The 4 number are respectively: - force constant in kcal/(mole radians**exponent) - equilibrium dihedral value in degrees - range around the equilibrium value in degrees - exponent for restraint calculation.} cv= --{Select partition number for cross-validation.} partition= --{Number of partitions for complete cross-validation.} scale= --{Overall scale factor. Default=1} ? --{Print a list of current dihedral constraints.} reset --{Resets the dihedral constraint list.} --{The functional form of the restraint is: E = constant * well( phi - equilibrium , range )**exponent where, well(a,b) = a-b a > b well(a,b) = 0 -b < a < b well(a,b) = a+b a < -b }