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)