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:
To use the latest version of this code:
- Check the nightly builds of NAMD or the LAMMPS-ICMS precompiled binaries OR
- Download this repository and run the update-colvars-code.sh script to update the source code of the program of your choice.
To get an example configuration:
To report bugs or to suggest new features:
Use the Issues tab of our Github page.