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@Ladme Ladme released this 23 Jun 09:46
· 10 commits to main since this release
v1.4.0
606b09a
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Learn about vigilant mode.
  • Upgraded to groan_rs version 0.8.1.
  • TPR files can be now used without trajectories.
  • Different reference groups can be now provided for each centering dimension using the options --xref, --yref, and --zref.
  • If trajectory file is provided, the input file is now allowed to have undefined/unsupported/non-orthogonal simulation box as long as the individual frames of the trajectory file have a valid simulation box.
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