NOTE: This tutorial was intended to be used with Gromacs version 3.1.4 and may not be compatible with newer versions. The tutorial will be revised in the near future. Note, a brief tutorial on Free Energy calculation with Gromacs 3.3.x can be found at the DillGroup Wiki.

Introduction to free energy calculation methods

Dept. of Biophysical Chemistry, University of Groningen


Gilles Pieffet
Prof. dr. Alan E. Mark




Introduction