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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.
La simulación computacional de moléculas o estructuras biológicas es una poderosa herramienta que permite modelar aquellos fenómenos producidos en la experimentación de laboratorio. Las simulaciones in silico son un complemento para analizar los resultados obtenidos por otros métodos ya sea porque permiten simular escenarios que por su escala nanométrica son difíciles de analizar en el […]
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 […]
