Table 1.
Average properties of the skewed double well systems on the base stage (T = 50 K). x1 is the fraction of distribution in the well near y = 0 Å.
Skew parameter | Methods | Epot, kT | x1 |
---|---|---|---|
0 | solution | 1.525 | 0.5 |
TRXLD | 1.513 ± 0.002 | 0.477 ± 0.006 | |
RXSGLD | 1.520 ± 0.002 | 0.491 ± 0.006 | |
kT | solution | 1.796 | 0.738 |
TRXLD | 1.760 ± 0.010 | 0.763 ± 0.005 | |
RXSGLD | 1.827 ± 0.009 | 0.705 ± 0.006 | |
2kT | solution | 1.762 | 0.878 |
TRXLD | 1.754 ± 0.012 | 0.881 ± 0.003 | |
RXSGLD | 1.772 ± 0.011 | 0.876 ± 0.003 |