Table 1.

Parameter values for the chain models considered. N/A means not applicable—that the value was irrelevant because its potential was set to zero. A blank space means the value was varied. The double quote means the value is repeated from the cell above. $N$, and ${ϵ}_{PW}$ are not listed in the table because they were allowed to vary for each chain model. Simulation temperature was 300 K.

	nm	kJ/mol	nm	kJ/mol/nm2	nm	kJ/mol/rad2	deg.	kJ/mol/nm2	nm
	${\mathit{\sigma }}_{\mathit{P}\mathit{P}}$	${\epsilon }_{\mathit{P}\mathit{P}}$	${\mathit{\sigma }}_{\mathit{P}\mathit{W}}$	${\mathit{k}}_{\mathit{b}}$	${\mathit{l}}_{\mathit{b}}$	${\mathit{k}}_{\mathit{A}}$	${\mathit{\theta }}_{\mathit{A}}$	${\mathit{k}}_{\mathit{D}}$	${\mathit{r}}_{\mathit{D}}$
FJC 1	N/A	0	0.47	16,000	0.33	0	N/A	0	N/A
FRC 2	“	“	“	“	“	2000	“	“	“
FJC+EV 3	0.43	0.2	“	“	“	0	“	“	“
FRC+EV	“	“	“	“	“	2000	112	“	“
FRC+EV+T 4	“	“	“	“	“	“	“	60	0.6

¹ freely-jointed chains, ² freely-rotating chains, ³ excluded volume, ⁴ torsional potential.