Table 6. Results for the free energy, FA, of (Gly)16.
Extended
|
Helix
|
||||
---|---|---|---|---|---|
Bin size | nf | —FA | ![]() |
—FA | ![]() |
Δαk/15 | 20,000 | 100.70 (6) | 1.20 (6) | 154.81 (3) | 0.69 (7) |
40,000 | 99.96 (4) | 0.81 (4) | 155.03 (2) | 0.47 (6) | |
80,000 | 99.59 (3) | 0.57 (3) | 155.05 (2) | 0.33 (4) | |
160,000 | 99.41 (2) | 0.42 (3) | 154.03 (1) | 0.24 (2) | |
QH | 99.8 (1) | 155.2 (1) | |||
LS | 100.34 (4) | 157.60 (7) | |||
—Energy | 67.44 (6) | 0.94 (10) | 130.31 (8) | 1.13 (10) |