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Version 1.1.2

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@keb721 keb721 released this 18 May 14:04
· 10 commits to main since this release

Gromacs wrapper added as dependency

Updates to forcefield files and Insane parameters

Pos2cif bug fixes:

  • changed default version to 3 (from 4)
  • fixed missing quotes for multiple copies of the same ligand
  • fixed missing commas between outputs
  • clarified use of renamed ligands

What's Changed

  • Updates to Energy minimisation and Equilibration protocols by @pstansfeld in #11

Full Changelog: v1.1.1...v1.1.2