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Fluctuating Finite Element Analysis (FFEA): A continuum mechanics software tool for mesoscale simulation of biomolecules

Fig 1

2D illustration of the steric repulsion implemented in FFEA, where 3D tetrahedra have been reduced to triangles.

The intersecting elements a and b gain a positive energy proportional to the area enclosed by their intersection, V (labelled V as it is a volume intersection in 3D). The repulsive force resulting from the negative spatial gradient of V is applied at the centre of the enclosed volume, and interpolated linearly onto the nodes of the two involved elements.

Fig 1

doi: https://doi.org/10.1371/journal.pcbi.1005897.g001