GPUs are getting faster and faster every day can we use them to speed up our molecular dynamics simulations let’s find out [Music] hello and welcome to this video on molecular dynamics on GPU Maha dynamic simulations are computationally expensive at least for most systems that we are interested in this makes it very challenging […]
In this video I give a short introduction to the LAMMPS simulation package. I will explain how LAMMPS can help you to run your molecular dynamics simulations faster and easier. I will also run a simple simulation with LAMMPS. The example LAMMPS input file can be found here:
This is a 5 minutes introduction to molecular dynamics simulation. Tools to generate initial state for your system: – LAMMPS lattice command: This command creates a 2D or 3D lattice. It supports a number of lattice types.