I've noticed two examples in the literature where folks have used step potentials rather than "square well" potentials for some of ther restraints. Is there an easy way to convert the NOE restraint from square to step? I've been using an ad-hoc solution of setting the upper bound to 99 angstroms but this is only good for proteins with extended chains that do not exceed this distance. It does not appear that I can use a value larger than 99 angstroms because I get an error message in my out file if I try that.
TIA, David Lowry
