Position Restraints Development
From wiki.gromacs.org
- Implement new position restraints that restrain particles with respect to the center of mass of a group (e.g. for cluster simulations).
- Position restraints with a flat-bottomed potential (like distance restaints). It may be useful to implement the flat-bottomed potential such that it can be applied only in the xy-plane (to generate a cylindrical constraint). Check the discussions of this site for further suggestions.
- A scaling constant in the mdp file that is multiplied with PosRe forces and energies. In this manner one can turn PosRe on and off without modifying the topology.
