We are happy to announce the first development release of MiMiC, a framework for multiscale modeling in computational chemistry, currently capable of high-performance electrostatic embedding QM/MM MD simulations using CPMD and GROMACS.

Visit https://mimic-project.org/ for more information on how to get the source codes and how to build and install the MiMiC framework together with MiMiC-enabled CPMD (optionally with PLUMED support) and GROMACS. You will also find a tutorial guiding you through the first steps of running MiMiC-based QM/MM MD simulations.

More details about the MiMiC framework and the performance of the MiMiC-based QM/MM implementation can be found in the following publications:

• Olsen, Bolnykh, Meloni, Ippoliti, Bircher, Carloni, and Rothlisberger, J. Chem. Theory Comput. 2019, 15, 6, 3810–3823. DOI: 10.1021/acs.jctc.9b00093
• Bolnykh, Olsen, Meloni, Bircher, Ippoliti, Carloni, and Rothlisberger, J. Chem. Theory Comput. 2019, 15, 10, 5601–5613. DOI: 10.1021/acs.jctc.9b00424

Jógvan Magnus Haugaard Olsen (DTU), Simone Meloni (UniFe), Paolo Carloni (FZJ), Ursula Röthlisberger (EPFL)