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. 2012 Mar 12;5(3):415–431. doi: 10.3390/ma5030415

Figure 3.

Figure 3

Force model for geometric simulation. The oxygen atom at the centre of the diagram is in steric contact with a nearby atom (above) and is connected to two template vertices to right and left. The mismatch of the atom from a template position is resolved into bond-stretching and bond bending components. Harmonic penalties apply to the bond-bending distortions, bond-stretching distortions, and steric overlap of atomic spheres.