The principal aim of this work is to study the thermophysical aspects of gas interaction on the walls of nano-channels using a three dimensional Molecular Dynamics (MD) model. The complete physics of gas-surface interaction in micro/nano channels in the non continuum regime is yet to be understood. The important parameters that are relevant to such interactions include energy and momentum accommodation coefficients. The study reported in this paper aims at implementing a relatively simple methodology for calculating different accommodation coefficients. Energy accommodation coefficient (EAC) and normal momentum accommodation coefficient (NMAC) are the main focus of the study. The accommodation coefficients for the different equilibrium states are calculated. Instead of tracking individual collision, a collection of collisions are considered for the calculations. The EAC and NMAC reported here are found to be influenced by gas-wall temperature difference and Knudsen number in the transition regime.