Molecular Dynamics with General Holonomic Constraints and Application to Internal Coordinate Constraints

This chapter contains sections titled: Introduction The Analytical Method of Constraint Dynamics The Method of Undetermined Parameters Using the Method of Undetermined Parameters with the Basic Verlet Integration Algorithm Application to Internal Coordinate Constraints Angle Constraint Versus Triangulation Using the Method of Undetermined Parameters with the Velocity Verlet Integration Algorithm Further Developments and Future Prospects