A computer simulation method for investigating the form generation mechanism in the centerless infeed (plunge) grinding process is described. For a 3-D simulation model of form generation, contact points are assumed to be on least squares contact lines at the grinding wheel, regulating wheel, and work-rest blade. Using force and deflection analyses, the validity of this assumption is shown. Based on the 2-D simulation model developed in the previous work and the least squares contact line assumption, a 3-D model is presented. To validate this model, simulation results were compared with the experimental works. The experiments and computer simulations were carried out using three types of cylindrical workpiece shapes with varying flat length. The experimental results agree well with the simulation. It can be seen that the effect of flat end propagated to the opposite end through workpiece reorientation.