colvars.github.io | Collective Variables Module

colvars.github.io is a HTML library. colvars.github.io has no bugs, it has no vulnerabilities and it has low support. You can download it from GitHub.

A software module for molecular simulation and analysis that provides a high-performance implementation of sampling algorithms defined on a reduced space of continuously differentiable functions (aka collective variables). First released in 2008 as part of the standard distribution of NAMD version 2.7b1, Colvars has also been integrated in LAMMPS and VMD. Pre-patched GROMACS releases are also available (see below). The module itself implements a variety of functions and algorithms, including free-energy estimators based on thermodynamic forces, non-equilibrium work and probability distributions.