MD3

Molecular Dynamics 3

Dave Willock

Molecular systems, potentials and rigid body approach

This lecture will cover the forcefield approaches to molecular systems and the dynamics of rigid bodies including:

1. Common intra-molecular potentials and obtaining the related forces.
2. Description of rotational degrees of freedom in Newtonian mechanics.
3. Euler angles and their problems.
4. Forces and Torques.
5. The quaternion approach to rotational motion.