ϕ/θ restrain values of MeGlcA.
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Restrain values [rad] of ϕ/θ puckering coordinates used in biased MD simulations of methyl-β-d-glucuronic acid yielding 1C4/ 4C1/OS2/1S3 conformers. 1C4 and 4C1 conformer were restrained only in θ puckering variable.
创建时间：
2022-01-20
