RAMD 2.1 @ GROMACS 2022.6

New features

• #29: New option ramd-connected-ligands
• #30: Synchronized trajectory output
• #24: Annual updates to GROMACS 2021 and 2022
• Set tpx_tag by @mabraham in #36
• CUDA development container

Bugfixes

• #37: The simulation is not terminated after the ligand has exited the binding site using MPI
• #38: The reference atom for periodic boundary conditions will not be considered (bug rejected)

Updates

• GROMACS update to version 2022.6

New Contributors

• @mabraham made their first contribution in #36

Full Changelog: gromacs-2020.5-ramd-2.0...gromacs-2022.6-ramd-2.1