The present work investigates the effect of different outermost module designs on the hydrodynamic responses of a modular multi-purpose floating structure (MMFS) system. The MMFS system is initially designed for a mild sea zone. As the entire system consists of more than 20 bodies, a simplified system with seven interconnected standardized modules is proposed for numerical and experimental study. In this simplified system, each module is assumed as a rigid body. Both hydrodynamic interactions and mechanical coupling among modules are taken into consideration in the time-domain numerical analysis. The structural deformation of the MMFS system mainly occurs in the connectors among adjacent modules. The maximum deformation appears at the connectors between outermost modules with the internal modules. To reduce the deformation and improve the concept, two special design, outermost module of deeper draft and outermost module with additional heave plate are proposed and investigated for the MMFS system. The numerical results indicate that the two proposed designs for the outermost module can significantly reduce the hydrodynamic responses of the MMFS system, especially the motion of the outermost module and the vertical bending moment on the connector. The extreme responses of the MMFS system with different outermost module designs are also studied and compared.