Skip to content

Rotate Protein to Minimize Solvent Atoms #41

@josephdepaoloboisvert

Description

@josephdepaoloboisvert

Is your feature request related to a problem? Please describe.
We may be simulating too much water, could speed up simulations by rotating the protein to minimize the solvent atoms.

Describe the solution you'd like
When solvating the protein, we should rotate the protein about the Z-axis in order to have the highest moment of inertia aligned with the (X or Y) axis.

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