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. 2015 Apr 16;11(6):2729–2742. doi: 10.1021/ct501025q

Table 1. Summary of Force Field Torsion Reparametrizations Relative to AMBER ff99a.

parametrization altered torsions reference
parmbsc0 α, γ (41)
parm99χ_Yil χYil (42)
ff10 α, γ, χ ff10 (43)
parmTor α, β, γ, ϵ, ζ, χ Yil (44)
a

All α/γ changes are from parmbsc0 (cf. Figure 1 for torsion definitions). Parm99χ_Yil and ff10 use different quantum mechanical methods to derive χ. All force fields are based on the ff94 partial charge67 and van der Waals model.