Make sure "colvars" interoperates stably and smoothly with gromacs - Redmine #3357
The Collective Variables Interface (Colvars) provides a huge number of algorithms that are based on collective variables.
To make sure colvars works smoothly with GROMACS we should work to establish a stable interface that allows to
- access system information over the course of the simulation efficiently
- add to forces, virial, energy
- hook up colvars to gromacs easily
A working version is stored here:
(from redmine: issue id 3357, created on 2020-01-28 by cblau)