Skip to content

Implement analyze FEP verbose to investigate convergence #29

@David-Araripe

Description

@David-Araripe

Also recommended in the best practices, see: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8388617/#:~:text=Convergence%20of%20simulations

Some adjustments might be needed since we have a different sampling technique as compared to most other people working with FEP. Some input from Willem would be appreciated, but let's keep this on the to-do list...

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type
    No fields configured for issues without a type.

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions