Skip to content

hejops/metadynamics

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

1 Commit
 
 
 
 
 
 

Repository files navigation

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.

About

Run metadynamics simulations and analyse free energy surfaces

Topics

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published