Motion on manifold (2d) surface

This is work by Stefan Paquay and Remy Kusters at Eindhoven University of Technology, The Netherlands, who developed an algorithm for performing molecular dynamics on arbitrary manifolds (2d surfaces), using a variant of the RATTLE algorithm. It uses Cartesian coordinates, so that it fits nicely into the parallel spatial decomposition strategy of LAMMPS. The code they added in the MANIFOLD package allows users to define and add their own manifolds.

The first two images (2nd is a movie) are of a virus capsid protein model. The second two images (2nd is a movie) are of lateral diffusion of proteins in a large curved membrane.