Abstract

This paper demonstrates the use of potential functions of molecular modeling in mass-spring systems. In mass-spring systems, force acting on each mass point is determined by the spring length between linked mass-points. In molecular modeling, forces are calculated using bond length (spring length), bond angle and stretch-bond interactions. Molecular modeling therefore provides more accurate force function. Molecular modeling, however, works on mesh free structures, particles. In the developed model, potential calculations of particles are adapted to triangulated models as in mass-spring systems. The potentials of mass-points are then calculated using the connectivity of triangle mesh based on potential functions of molecular mechanics. Simulation results show that proposed method produces realistic simulations.

Key words: Molecular modeling, potential functions, mass-spring systems, soft tissue modeling and simulation.