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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