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  24. Jun 20, 2014
    • Giovanni Bussi's avatar
      Allows for KbT to be passed from MD code and used in METAD · 325a7345
      Giovanni Bussi authored
      I added the possibility to pass kbT from gromacs to plumed.
      To allow compatibility between old and new versions, I used the API
      number. Namely: gromacs checks that plumed API>1; if so, pass the
      temperature.
      
      KbT is only used in METAD so far (not in HISTOGRAM)
      
      Addresses #35
      325a7345
  25. Jan 13, 2014
  26. Oct 19, 2013
  27. Sep 26, 2013
    • 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
  28. Sep 25, 2013
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