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Version 1.0.0
Version 1.0.0
This version makes CCD2MD pip installable. However, this has also led to some changes to the architecture, with the possibility that old inputs are no longer possible.
Additions
- Membrane deformations can now be calculated via MemPrOD
- Topology generation steps now work on MacOS/Unix systems
Breaking points
- Versions 0.0.* were designed to work with locally installed versions of MemPrO/Insane4MemPrO/cg2at-lite. This is no longer the case, and installations of these are required for CCD2MD to work with membrane embedding.