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. 2020 Jun 17;12(6):1368. doi: 10.3390/polym12061368
kb Stiffness constant of bond stretching potential
ka Stiffness constant of angular bending potential
kt Stiffness constant of torsion potential
l, l0 Bond length and equilibrium bond length
θ, θ0 Bond angle and equilibrium bond angle
nϕ, ϕ0 Torsion angle and equilibrium torsion angle
σij Zero-potential distance of Lennard-Jones
εij Well depth of Lennard-Jones
rij Distance between the atom i and j
h1, h2 Maximum and minimum values of the height of bottom after demolding
w1, w2 Maximum and minimum values of the width of bottom after demolding
h1, h2 Maximum and minimum values of the height of shoulder after demolding
h, w Values of the height and width of bottom before demolding
h Values of the height of shoulder before demolding