/colvars

Collective variables module for molecular simulation and analysis programs

Primary LanguageC++GNU Lesser General Public License v3.0LGPL-3.0

Collective variables module (colvars)

A software module for molecular simulation programs that provides a flexible and high-performance platform for present and future algorithms. Both the source code and binary are distributed together with the simulation programs NAMD and LAMMPS and the visualization program VMD.

To obtain the latest version, download the master branch of this repository or clone it using git. You can run the update-colvars-code.sh script to update the version of the colvars module in the program of your choice.

All bugfixes are released through the master branch: please use the "Issues" tab of this repository page to submit new bug reports, or to suggest new features.

Other branches are dedicated to the development of specific features; currently, these include:

  • proxy branch: improvements to the interface between the colvars module and MD or analysis engines;
  • histogram branch: improvements to the colvarbias_histogram class.

This software is distributed under the GNU Lesser General Public License, version 3. See COPYING.LESSER for complete licensing terms.