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This is a minor update release concerning the following issues.

  • (code) fix problems while installing with CUDA-8.0RC and single precision
  • (code) fix file I/O of the analysis tools (mbar_analysis, wham_analysis, pmf_analysis)
  • (code) change default of pme_alpha in the [ENERGY] section
  • (code) remove unnecessary error messages
  • (tests) set pme_alpha in the control files due to change of the default
  • (manual) fix sample of the [SELECTION] section (p.43)

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