Calculate Electrostatic Solvation Energy

Upload File, Adjust Parameters and Submit Job


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Solver  ? Select a PBE solver.

Mesh Parameters

Domain shape  ? Select the geometric shape of the computational domain Ω
Cubic: Generate a cubic shape domain
Spherical: Generate a spherical shape domain
Default: Cubic
Note: Only used for finite element solver
Surface type  ? Select type of interface surface Γ
Gaussian surface: Use GAMer Gaussian surface and marching-cube method
SES: Use GAMer solvent-excluded surface
SAS: Use EDT solvent-accessible surface
Default: Gaussian surface
This job may take a few minutes. When the job is complete, a free energy value, download link, visualization, and output log will be updated on this page.
Reload the page to run a new job.

View Visualization, Free Energy Value, and Download Results

Visualization

Controls

Data range for surface map color scale  ? Set the cut-off values used to determine the color of each vertex on the current surface. Tweak these values to achieve a preferred color contrast in the color mapping.
Set: Set the above min and max values as the color-value map range.
Autoscale: Reset the color-value map range to the default range between the data's absolute min and max.

Event log

    Electrostatic Solvation Free Energy

    Submit a job to view the free energy value.

    Download Files

    Submit a job to download your results.

    View Output Log

    Output Log

    Submit a job to view the output log.