Fig. 4
Top: Phospholipid DMPC fragmentation scheme [20] with 16 particles connected by harmonic springs (compare Fig. 2). Bottom: For spatial mapping into the simulation box the topological DMPC particle structure is converted to a linear 3D tube along the [START]/[END] tagged main chain where side-chain particles are collapsed onto the spatial positions of their neighbored main-chain particles, i.e. the second spatial position to the right contains 8 particles with the exact same position: The main-chain particle DMPN and the side-chain particles MeAc and 6 Et