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Figure 4 | Nanoscale Research Letters

Figure 4

From: New Bending Algorithm for Field-Driven Molecular Dynamics

Figure 4

PBCs/MIC applied in the bending simulation. The curved coordinates are first transformed to flat one by J−1, and then the regular PBCs/MIC are applied. After building the neighbor list, the forces between primary atoms and image atoms can then be established. The curved coordinate can be restored by J

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