Table 1.

Parameters for non-bonded potential energy boosting

Repeat	Vmax (kcal/mol)	Vmin (kcal/mol)	Vavg (kcal/mol)	σV (kcal/mol)
1	43.0303	−98.2983	−29.7762	7.9339
2	39.9781	−92.442	−38.1154	8.856
3	128.9275	−95.8721	−31.8457	7.4627
4	123.1266	−92.8427	−33.1884	7.9531
5	32.2203	−88.7339	−33.5473	8.6824
6	53.8041	−101.869	−40.5985	8.3789
7	97.4856	−95.6821	−27.5663	6.0549
8	88.0037	−90.6698	−31.9644	7.6115