The application of ano-grippers in manufacturing, assembling and displacing Nano-scale components is growing rapidly. Among these applications are the separation of Nano-particles from their growth substrate, deformation of Nano-structures and various mechanical tests on newly developed materials under a vast range of loadings. The displacement of Nano-components would not be possible without Nano-grippers of high accuracy, sensitivity and controllability. While the presence of surface forces would facilitate the gasping of Nano-components, it would impede the accurate release of components due to the adhesion between particles and the gripper. This challenge has rendered the study of Nano-grippers and their performance characteristics a rather hot topic within the Nano-technology community. Nano-grippers can be used both as independent tools and as part of more complex Nano-structures. Therefore, having proper knowledge about nano-grippers and their operation is critical due to their widespread applications. That is why the design, manufacturing and performance improvement of Nano-grippers and resolving their shortcomings have attracted many researchers. The fabrication of nano-electromechanical systems for special activities has been made possible via improvements in the manufacture of nanodevice in last decade. In fact, the separation of nanoparticles or nanotubes from their grown substrate or performing the tensile test on them could be suggested as such activities. The goal of the present study is to present a design methodology for Nano-grippers to grasp and separate Nano-particles from their grown substrate without damaging other components. A comprehensive Molecular Dynamics simulation is employed to achieve this objective. The proposed methodology would be applicable to such problems as grasping and separating polymer and protein fibers. It begins with the evaluation of tensile stress and lateral stability of the carbon nanotube. Next the impression of the Nano-gripper is closely studied using “force-impression” graphs. The results are then used to calculate the friction between the head of the Nano-gripper and the carbon nanotube. Finally, the obtained results are compared with those from previous studies and a criterion is proposed for the design of Nano-gripper heads. Keywords: Nano-gripper, Carbon nanotubes, Tensile test, Molecular Dynamics