Specify the center of the coarse grid (in a focusing calculation) based on a molecule's center or absolute coordinates for a multigrid (mg-manual, mg-auto, mg-para) 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.
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.
See also: gcent, fgcent
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