Skip to content

abcg2 partial charges calculation method in acpype  #129

@yel21

Description

@yel21

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

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions