Skip to content

Hydrogen bonds analysis using PMDA #95

@nawelmele

Description

@nawelmele

Following a discussion on MDAnalysis forum would it possible to build a function to perform hydrogen bonds analysis using MDAnalysis.analysis.hbonds module in parallel with PMDA to accelerate the running time for long MD trajectories?

I would be happy to be part of it if you had any advices to where to start?

Metadata

Metadata

Assignees

No one assigned

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions