Grand Canonical Adaptive Resolution Scheme (GC-AdResS) is getting more recognition throughout the scientific community. The main aspect is to couple two simulation boxes together and combine the advantages of classical atomistic simulations with those from coarse gained simulations. The goal of the pilot project is to develop a library or recipe with which GC-AdResS can be implemented in any MD Code. Our current focus is adjusting the implemented Version of GC-AdResS in GROMACS. The long-term goal of this project is to promote and stimulate the community to use it as a tool for multiscale simulations and Analysis.
CoE: E-CAM
This website is created and maintained by the project FocusCoE. FocusCoE has received funding from the European Union’s Horizon 2020 research and innovation programme under the grant agreement Nº 823964.