Largest charge group radii for Van der Waals: 0.084, 0.084 nm
Largest charge group radii for Coulomb:       0.084, 0.084 nm
Calculating fourier grid dimensions for X Y Z
Using a fourier grid of 28x28x28, spacing 0.111 0.111 0.111
This run will generate roughly 2 Mb of data
