cgcent — APBS-PDB2PQR 1.6 documentation

# cgcent

This keyword controls electrostatic energy output from a Poisson-Boltzmann calculation The syntax is:

    cgcent { mol id | xcent ycent zcent }

The arguments for this keyword are either

`mol id`
  Center the grid on molecule with integer ID `id`; as assigned in the `READ` section with a `READ mol` command (see READ input file section)

or

`xcent ycent zcent`
  Center the grid on the (floating point) coordinates (in Å) at which the grid is centered. Based on the PDB coordinate frame.