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