The files in this directory are a user-contributed package for LAMMPS.

The person who created these files is Axel Kohlmeyer
(akohlmey@gmail.com).  Contact him directly if you have questions.

The current version of this package should be considered beta
quality. The CG potentials work correctly and well, but there will be
optimizations, cleanups and additional tools to aid in setting up and
analyzing simulations with this package added in the next months.

This package implements 4 commands which can be used in a LAMMPS input
script:

pair_style cg/cmm
pair_style cg/cmm/coul/cut
pair_style cg/cmm/coul/long
and angle_style cg/cmm.

See the documentation files for these commands for details.

There are example scripts for using this package with LAMMPS in
examples/USER/cg-cmm.

These styles allow coarse grained MD simulations with the
parametrization of Shinoda, DeVane, Klein, Mol Sim, 33, 27 (2007)
(cg/cmm), with extensions to simulate ionic liquids, electrolytes,
lipids and charged amino acids (to be published soon).

Thanks for contributions, support and testing goes to

Wataru Shinoda (AIST, Tsukuba)
Russell DeVane (CMM / U Penn, Philadelphia)
Balasubramanian Sundaram (JNCASR, Bangalore)
Michael L. Klein (CMM / U Penn, Philadelphia)

version: 0.98 / 2008-01-31
