模拟厄尔巴岛与LAMMPS工具包

The ELBA-LAMMPS toolkit is a package containing tools and examples to facilitate the simulation of the ELBA force field with the massively-parallel molecular dynamics software LAMMPS. To get started, download the latest (current) version (see Downloads) and follow the guidelines in the README files in the various (sub)folders. While all past versions of ELBA-LAMMPS are available for reference, it is highly recommended to keep up-to-date with the latest (current) version, as this is likely to be "the best version" (more complete, efficient, user-friendly, bug-free, up-to-date with LAMMPS). The ELBA coarse-grain force field is described in the following papers: * M. Orsi, W. Ding, and M. Palaiokostas, J. Chem. Theo

elba-lammps
README
INSTALL
viz
examples
tools