Fig. 1
From: CONFOLD2: improved contact-driven ab initio protein structure modeling
Behavior of the contact energy term for various rsw values. For this demonstration desired distance is set to 10 Å with a lower-bound of 0 Å and upper-bound of 5 Å, i.e. the desired distance between the pair of restrained residues is 10.0 Å and 15.0 Å. The “Existing” energy calculations refers to the old energy term implemented in CONFOLD method. The plot shows that depending upon the switching parameter, rsw, the energy calculations can taper early at around 1 or 2 Å for rsw = 2 or at more than 25 Å for rsw = 6