To solve the problem that the computational efficiency of the initial solution prediction based on the maximum inertial loading in the original one-step algorithm for bus rollover collision is a bit low, a new initial solution prediction method based on the principle of nodal coordinates interpolation of the standard template of structural deformation is proposed to improve the original one-step algorithm for bus rollover collision. A typical 12-meter bus body section is selected as the research object, and the simulation result of the improved algorithm is compared with the original algorithm. The compare result shows that the computational precision of the improved algorithm is basically kept, and the computational efficiency is greatly improved. The effectiveness of practical engineering application of the proposed initial solution prediction method is verified.