STEP2 — Specify step size for second coordinate in reaction grid calculation.

STEP2=`n.n`

In a two dimensional reaction grid calculation, the two parameters to be used in the grid are defined in the input file by a “-1” as the optimization flags. The step size (in degrees or Angstroms) to be taken along the first grid parameter is set by STEP1. The step size to be taken along the second grid parameter is to n.n. By default, eleven steps along each parameter are defined, giving a total of 121 points on the grid. The GRID keyword can be used to adjust number of points in each direction. The input structure always represents the center point of the generated grid. In a two dimensional reaction grid calculation, the two parameters to be used in the grid are defined in the input file by a “-1” as the optimization flags. The step size (in degrees or Angstroms) to be taken along the first grid parameter is set to n.n. The step size to be taken along the second grid parameter is set by STEP2. By default, eleven steps along each parameter are defined, giving a total of 121 points on the grid. The GRID keyword can be used to adjust number of points in each direction. The input structure always represents the center point of the generated grid.

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