hejops / metadynamics Goto Github PK

A collection of scripts (Bash, Python) to prepare and run metadynamics
simulations, and analyse the resulting free energy surfaces. Frequently used
PLUMED setup files are also included.

These scripts are no longer being actively maintained, and were developed with
a specific directory structure in mind. Thus, they are not guaranteed to work
on your system! However, most of them have some attempt at documentation in the
source code.