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. 2022 Jun 17;12(28):18012–18021. doi: 10.1039/d2ra01892f

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
a

σ in nm, ε in kJ mol−1 nm−2.

b

b 0 in nm, Kb in kJ mol−1 nm−2.

c

θ 0 in deg., Kθ in kJ mol−1 rad−2.

d

ϕ 0 in deg., Kϕ in kJ mol−1.