Brownian Dynamics Simulation

LAMMPS and GROMACS are popular simulation packages for molecular dynamics (MD) simulations. Both can be used to simulate Brownian Dynamics by using Langevin dynamics. See “fix langevin” in LAMMPS or “bd integrator” in GROMACS.

LAMMPS: lammps.sandia.gov

GROMACS: http://www.gromacs.org

GROMACS Tutorial: http://www.gromacs.org/WIKI-import/Main_Page/Tutorials

SMOG: Structure-based Models for Biomolecules: http://smog-server.org/


 

BDpack is a Brownian dynamics package developed recently. It is an open source code and is written in parallel with high computational efficiency. It can be found at: http://amir-saadat.github.io/BDpack/


 

BROWNIAN DYNAMICS SIMULATIONS OF POLYMERS AND SOFT MATTER HANDBOOK by P.S. DOYLE

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