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Install lammps for mac3/8/2023 ![]() In addition, CHARMM-style atom selection commands are implemented. ![]() This provides a flexible and relatively fast framework for complex analysis tasks. It allows one to read molecular dynamics trajectories and access the atomic coordinates through numpy arrays. MDAnalysis is an object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. Additional information and svn access to "bleeding etch" code can be found on the project website below. This project aims at providing a user package for the molecular dynamics software LAMMPS, which allows the complete simulation to run on a GPU. It can model atomic, polymeric, biological, metallic, or mesoscale systems using a variety of force fields and boundary conditions and is easy to modify or extend. LAMMPS is a classical molecular dynamics simulator designed for parallel machines.
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