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
The website is operated as part of the CASTIEL 2 project. This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No 101102047. The JU receives support from the European Union‘s Digital Europe Programme and Germany, Italy, Spain, France, Belgium, Austria, Estonia.