Table 2.

Interaction Strengths ε_μν and Contact Probabilities p_μν for Selected Bead Pairs (μ, ν) in a Bead-Spring Chain with 45 Beads

Initial State: SAW Polymer
Bead Pair	Interaction Strength, εμν			Contact Probability, pμν
	Reference	Recovered	% Error	Initial	Reference	Recovered	% Error
3-13	7.00	6.70	4.29	0.0033	0.44	0.46	4.55
13-23	7.00	7.28	4.00	0.0036	0.51	0.49	3.92
23-33	7.00	7.08	1.14	0.0057	0.39	0.37	5.13
33-43	7.00	7.35	5.00	0.0041	0.62	0.59	4.84
8-18	7.00	6.94	0.86	0.0056	0.47	0.47	0.00
18-28	7.00	6.89	1.57	0.0052	0.31	0.32	3.23
28-38	7.00	7.16	2.29	0.0071	0.55	0.53	3.64
3-43	7.00	7.18	2.57	0.0002	0.22	0.22	0.00

Initial State: Collapsed Polymer
Bead Pair	Interaction Strength, εμν			Contact Probability, pμν
	Reference	Recovered	% Error	Initial	Reference	Recovered	% Error
3-13	7.00	6.67	4.71	0.139	0.44	0.44	0.00
13-23	7.00	6.99	0.14	0.141	0.51	0.52	1.96
23-33	7.00	6.75	3.57	0.133	0.39	0.38	2.56
33-43	7.00	7.19	2.71	0.136	0.62	0.59	4.84
8-18	7.00	7.22	3.14	0.132	0.47	0.45	4.26
18-28	7.00	6.77	3.29	0.135	0.31	0.3	3.23
28-38	7.00	6.89	1.57	0.133	0.55	0.55	0.00
3-43	7.00	7.11	1.57	0.067	0.22	0.22	0.00

Values of these variables recovered using IBD are compared with those of the reference polymer chain, along with the percentage error between the reference and recovered values. Initial ε_μν-values for all bead pairs were chosen to be 0 for the SAW polymer, whereas ε_μν = 1 for all bead pairs in the collapsed polymer.