/free_energy_landscape

The Free Energy Landscape Analysis tool offers a comprehensive suite for analyzing and visualizing the free energy landscape derived from molecular dynamics simulations. It focuses on extracting critical insights from collective variable (CV) data, enabling researchers to understand the energetics and dynamics of molecular systems in depth.

Primary LanguagePythonGNU Lesser General Public License v3.0LGPL-3.0

Pinned issues

Regarding input files

#1 opened

Closed3

how to extract minima PDB

#2 opened

Closed2

Regarding CV1.txt and CV2.txt

#3 opened

Closed4

Issues