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APBS‎ > ‎User guide‎ > ‎Running APBS‎ > ‎Input files‎ > ‎ELEC input file section‎ > ‎ELEC keywords‎ > ‎

fgcent

Specify the center of the fine grid (in a focusing calculation) based on a molecule's center or absolute coordinates for mg-para and mg-auto multigrid calculations. The syntax is:

   fgcent { mol id | xcent ycent zcent }

where a user can specify either

mol {id}
Center the grid on molecule with integer ID id; as assigned in the READ section of the input file. Molecule IDs are assigned in the order they are read, starting at 1.

or the user can specify

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

See also: cgcent

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