Colvars

Collective variables module for molecular simulation programs

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A software module for molecular simulation programs, which provides a flexible and high-performance platform for present and future algorithms (reference article).
The source code is currently distributed together with the simulation programs NAMD and LAMMPS:

Download colvars reference manual for NAMD (PDF) or view HTML colvars manual for NAMD

Download colvars reference manual for VMD (PDF) or view HTML colvars manual for VMD

Download colvars reference manual for LAMMPS (PDF) or view HTML colvars manual for LAMMPS

To use the latest version of this code:

To get an example configuration:

Check the examples folder inside the repository: examples include configuration files for NMR restraints, targeted MD, and to define the relative orientation of two flexible objects.

To report bugs or to suggest new features:

Use the Issues tab of our Github page.

Browse the developer documentation:

Code documentation generated by doxygen.