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Second release candidate RAMD 2.1

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@BerndDoser BerndDoser released this 06 Mar 12:17
· 1587 commits to main since this release

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