We report molecular dynamics simulations of monolayers of copper complexes covalently attached to a graphite surface in water. Simulations are performed to calculate the structural (density profiles, distribution functions), dynamical (diffusion coefficients) and energetical properties of typical systems presenting a finite length in the third dimension. The results are discussed as a function of the method used for computing the long-range Coulombic interactions. Three different methodologies are used: a two dimensional method (HKE) more extensively in simulation time, the standard Ewald summation technique (EW3D) and the corrected Ewald method (EW3DC). From a computational viewpoint, the comparison between methods is essential to establish the set-up conditions and it represents a pre-requisite work before further investigating these grafted systems. We complete this study by providing a molecular description (structure, energy, diffusion, hydration) of the grafted monolayers of copper complexes and of the water molecules.