Fix/merge conflicts openmm #2
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+2,354
−35
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KyuJungJun
commented
Feb 5, 2026
KyuJungJun
commented
- add tetrameric anion functionality
- add builder_ligpargen_openmm_from_mols_multi_system.py
- add the functionality of reading each LIT Charges for each solvent
JurgisR
requested changes
Feb 9, 2026
| ratios_type = 'mol' | ||
| assert len(smiles) == len(ratios) | ||
| else: | ||
| <<<<<<< HEAD |
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You haven't properly done a previous merge, fix this please
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