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Release 0.5.0

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@orbeckst orbeckst released this 24 May 22:13
  • Python 2.7 is required (earlier versions are not supported anymore)
  • Support for Gromacs 5.x is now the default
    • You can use custom driver prefixes such as gmx or gmx_mpi in your gromacswrapper.cfg file to customize the tools that are being made available.
    • Gromacs 4.6.x still works. typically, GromacsWrapper scripts ought to be able to either use Gromacs 4 or Gromacs 5 because a number of compatibility hacks are included that make Gromacs 5 tools also appear under Gromacs 4 names.
  • Removed GridMAT-MD and gridmatmd plugin (no demand and thus no longer supported)