The objectives of the course are to demonstrate software used by the CCP5 and CCPBioSim communities, emphasising how to proceed further in what can be a bewildering field to the non-specialist.
The course will include overview lectures and some introductory practical sessions on the scope and application of modern simulation methods covering:
- ab initio methods for small molecules and periodic systems
- modern Monte Carlo codes and methods
- modern molecular dynamics simulations and long-timescale techniques
- modern mesoscopic methods (DPD, Lattice -Boltzmann).
Most of the course will centre on the use of DL software (e.g. DL_MONTE, DL_POLY, DL_MESO) largely developed through CCP5. Case studies will be discussed, tailored as far as possible to meet the needs of the audience.
and registration details
can be found here