MD theory

Basic Principles in Molecular Dynamics Theory

It is suggested to participate also in VMD and NAMD training sessions. This training course delivered by Dr Karina Kubiak – Ossowska (ARCHIE-WeSt User Support Officer, karina.kubiak@strath.ac.uk) will cover:

• basic principles of MD
• the force-field
• potential energy minimization procedures
• solving the newton’s equations
• MD algorithm
• thermostat
• shake algorithm
• steered molecular dynamics (SMD)