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To reduce the time consumption of rang-limited force calculations in molecular dynamics simulations, a field-programmable gate array-based molecular dynamics simulation matching unit is designed and implemented. Theoretically, the physical laws of inter-particle forces in molecular dynamics simulations are analyzed, and two filtering methods for particle pairs that meet the requirements of rang-limited force calculations are proposed: the partial-order method and the planar method. Technically, the matching unit was implemented on a Xilinx Virtex UltraScale+ HBM VCU128 FPGA board using SpinalHDL, an emerging hardware description language. Finally, the hardware test results are compared with the theoretical results to verify that the matching unit can effectively filter out the particle pairs that do not contribute to the rang-limited force calculation. At the same time, a comparative analysis of the resource consumption of using the partial order method, the plane method and the direct calculation method shows that the use of the partial order method and the plane method can save 70% of the system's DSP resources.