Vorlesung: Biomolecular Physics and Simulations (SoS 2021)

every Monday 16:00h s.t., online

Here you will find the course material for the practicals. Please click here for instructions to use the X2Go client . Please log on to the course zoom channel for instructions.

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

Practical 6 : Rate theory

Bert de Groot / bgroot@gwdg.de April 19, 2021