Water, energy and food are indispensable resources in terms of human life and development, the shortage and matching dislocation of water resources and energy can hinder the growth rate of food production to a certain extent. In this paper, Lorentz curve and Gini coefficient are used to evaluate the matching degree between water-grain and energy-grain in the Yellow River Basin. Based on Cobb-Douglas function, the grain growth damping model is applied, and the restriction degree of water resources and energy on grain production in the Yellow River Basin is calculated. The results show that: 1) The Gini index of water resources and energy to grain in the Yellow River Basin has decreased first and then increased, and the matching degree of which in the lower reaches of the Yellow River is more reasonable than that of the upper and middle reaches. In 2019, the Gini index values of water resources to grain in the Yellow River Basin and the upper, middle and lower reaches were 0.365, 0.379, 0.336 and 0.122 respectively, while the Gini index values of energy to grain were 0.194, 0.218, 0.206 and 0.118 respectively, it indicated that the matching degree of water resources and energy to grain show high matching status in the lower reaches. The water resources and energy in the upper and middle reaches are generally matched with grain. 2) The damping coefficient of water resources to grain production fluctuates greatly in the Yellow River Basin, and the variation range of damping coefficient is 0.005~0.032. Besides, the damping effect of water resources on grain growth basically presents a 6-year cycle with a decrease-increase-decrease situation. While the damping effect of energy on grain shows a steady increase situation, and the energy damping coefficient increased rapidly after 2015. Under the constraints of water resources and energy in 2019, the annual grain output growth in the Yellow River Basin reduced by 0.76% and 5.28% respectively compared with the previous year. 3) The damping effect of water resources and energy has a certain degree of agglomeration, the damping coefficient of water resources in the Yellow River Basin presents the situation of small in the West and large in the East. The energy damping effect presents a medium and high constraint state, which is concentrated in the eastern and lower reaches of the upper reaches, and the low constraint state is concentrated in the middle reaches of the Yellow River. In addition, the damping coefficient of water resources and energy in the Yellow River Basin has typical spatial agglomeration characteristics. The H(High)-H(High) agglomeration area of water resources damping effect is mainly distributed in the lower reaches of the Yellow River, the L(Low)-L(Low) agglomeration area of energy damping effect is distributed in the northern part of the middle reaches. It is hoped that this study can have a certain reference basis for the stable growth of grain and the effective allocation of resources in the Yellow River Basin.