- Support for XTC trajectories as input
- Parallel multi-core RDF calculation. (Only a shared memory version, no MPI-support)
- Flexible [NPairBondsExclude]exclusions for non-bonded short-range interactions, based on number of bonds between the pair of atoms.
- Support for [SameAsBond]SameAsBond-records, allowing to have one bond potential shared between bonds belonging to different molecular types.
- Improved performance and memory consumption for larger systems.