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  19. Sep 26, 2013
    • Giovanni Bussi's avatar
      Fixed acceptand for HREX and NPT · e86fe9af
      Giovanni Bussi authored
      The contribution from gromacs (DeltaP*DeltaV) should not
      be counted with hrex. Indeed, this term is already included
      in the foreign energy calculation.
      e86fe9af
    • Giovanni Bussi's avatar
      Improved hrex patch · b83193a7
      Giovanni Bussi authored
      This now allows to activate hrex from the command line:
      mdrun -hrex
      b83193a7
    • Giovanni Bussi's avatar
      Merged patch into gromacs-4.6.3 · ccd3ef1a
      Giovanni Bussi authored
      As of this commit, to patch with Hamiltonian replica exchange
      just use the gromacs-4.6.3 patch
      
      This will simplify keeping up to date with upstream changes in the patch.
      ccd3ef1a
  20. Sep 25, 2013
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