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AmberTools24 has been added with a new partial charge calculation method (ABCG2), which is recommended for the GAFF2 force field. Could you please add the ability to use this calculation method to the acpype?
Dear Sirs,
AmberTools24 has been added with a new partial charge calculation method (ABCG2), which is recommended for the GAFF2 force field. Could you please add the ability to use this calculation method to the acpype?
Best regards,
Victor