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 theREAD
section with aREAD 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.