摘要：The existence of interactions between molecules that are influenced byNewton's equations of classical style, can not be understood if usinginvisible. One solution is to conduct computer experiments with moleculardynamics technique. Molecular dynamics computer simulation technique whichis observing the movement of molecules that interact with each other. Thistechnique simulates the molecules attract each other and pushing and hittingeach other. Based on that, then designed a molecular dynamics simulation for anisolated system (ensemble mikrokanonikal) and with a temperature controlsystem (canonical ensemble). To test the truth of the simulation, we usedLennard-Jones potential model Mikrokanonis-NVE and energy equipment.Simulation software was developed with the programming language Fortran 2.0Force. Data obtained showed that the kinetic energy plus potential energy intotal energy are obtained.
