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LAMMPS Polymer Example


LAMMPS, or Large-scale Atomic/Molecular Massively Parallel Simulator, is a molecular dynamics simulator. It computes using the solution using spatial-decomposition techniques and hence is able to parallelize well across multiple processors.

This is an example of molecular dynamics analysis with LAMMPS and post processing visualization on Rescale.

Post processing visualization of results (using Atom Eye)

Post processing visualization of results (using Atom Eye)


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Simulation Code LAMMPS Aug 2015 (r13864)
Analysis Type Molecular dynamics
Description A 100 atoms polymer chain is put in a fixed temperature environment. The thermal energy of the environment randomly jiggles the polymer chain while the molecular bonds between the atoms are trying to hold the chain together. As the simulation goes on, the polymer chain is expected to evolve toward the same entropy state as its surrounding environment.
Suggested Hardware Nickel / 1 cores
Command
lammps -in in.deform.polychain.txt
Estimated Run Time 5 minutes

Last Updated: Dec 02, 2016 02:16PM PST

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