Coarse-grained force field parameters for PEG-SH.
| Building block | Non-bonded (LJ)a | Bonded | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Bondb | Anglec | Dihedrald | |||||||
| σ | ε | b 0 | K b | θ 0 | k θ | ϕ 0 | K ϕ | n | |
| PEG monomer | 0.43 | 3.375 | 0.33 | 17 000 | 130 | 85 | 180 | 1.96 | 1 |
| 0 | 0.18 | 2 | |||||||
| 0 | 0.33 | 3 | |||||||
| 0 | 0.12 | 4 | |||||||
σ in nm, ε in kJ mol−1 nm−2.
b 0 in nm, Kb in kJ mol−1 nm−2.
θ 0 in deg., Kθ in kJ mol−1 rad−2.
ϕ 0 in deg., Kϕ in kJ mol−1.