Hi,

I was wondering what the default values for restraints in reel/elbow represent in terms of ‘tightness’ for lack of a better word.

I am trying to tighten up the geometry of a badly behaving ligand and want to avoid over tightening. What is the consensus out there what kind of ESDs represent a ‘loose’ ‘medium’ and ‘tight’ restraint for bond, angle, dihedral, planar and chiral restraints.

Thanks

        Carsten