Skip to content

Fragmenter option for generating the parameter #56

@pradipchm

Description

@pradipchm

Hi,
I am new to amoeba force field and still trying to understand the every steps of poltype2 calculation. I am getting an error while using dontfrag as default False, but if I use True there is no error. Is it fine to calculate without fragmenting or what is the purpose of fragmenting? I appreciate your suggestion.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions