Skip to content

Issues in example #33

@mattholc

Description

@mattholc

We need to clean up the example provided. Current benzene concentration and lack of repulsive force leads to dramatic aggregation, which can be confusing for new users and hampers analysis pipeline.

Additionally, cpptraj script specifies first hundred residues, which is arbitrary for this system. Either should be all CA or within some domain of protein or similar, with explanation.

Metadata

Metadata

Assignees

No one assigned

    Labels

    documentationImprovements or additions to documentation

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions