Vorlesung: Biomolecular Physics and Simulations (SoS 2017)


every Monday 16:00h s.t., Lectures HS 3 (physics) / Practicals SR1 (A1.101)

Here you will find the course materials for the practicals


Practical 1: Markov state modeling

Practical 2: Introduction to Electronic Structure Calculations using GAMESS

Practical 3: Introduction to quantum mechanics/molecular mechanics (QM/MM) simulations

Practical 4: Free energy calculations.

Practical 5: Free Energies from non-equilibrium dynamics



Bert de Groot / bgroot@gwdg.de July 6, 2015