Biobb MD changelog

What’s new in version 3.7.2?

  • Deprecated Package: biobb_md is no longer maintained and has been superseded by the biobb_gromacs package.

What’s new in version 3.7.1?

Bug fixes

  • Problem with Gmx version check (mdrun) #48

What’s new in version 3.7.0?

In version 3.7.0 the dependency biobb_common has been updated to 3.7.0 version.

New features

  • Update to biobb_common 3.7.0 (general)

What’s new in version 3.6.0?

In version 3.6.0 Python has been updated to version 3.7 and Biopython to version 1.79. Big changes in the documentation style and content. Finally a new conda installation recipe has been introduced.

New features

  • Update to Python 3.7 (general)
  • Update to Biopython 1.79 (general)
  • New conda installer (installation)
  • Adding type hinting for easier usage (API)
  • Deprecating os.path in favour of pathlib.path (modules)
  • New command line documentation (documentation)

Bug fixes

  • Replace container badge (documentation)
  • Remove unused system and step arguments from command line causing execution errors (cli) #9

Other changes

  • New documentation styles (documentation) #8