Skip to content

Release 0.8.0
Compare
Choose a tag to compare
@orbeckst orbeckst released this 30 Apr 08:19
release-0.8.0
d98962c

Major release of GromacsWrapper (see CHANGES for details).

Highlights:

  • tested with Gromacs 2019.1, 2018.4, 4.6.5 (and Gromacs 2016.x also works)
  • supported on Python 2.7 and 3.4+ (tested on 2.7 and 3.6/3.7)
  • better handling of _mpi and _d suffixes for Gromacs executables
  • new gromacs.release() command to show the Gromacs version string (such as "4.6.5" or "2019.1")
  • bug fixes
Assets 2
Loading