This package implements the "fix colvars" command which can be used
in a LAMMPS input script.

This fix allows to use "collective variables" to implement
Adaptive Biasing Force, Metadynamics, Steered MD, Umbrella
Sampling and Restraints. This code consists of two parts:

- a portable collective variable module library written
  and maintained by Giacomo Fiorin (ICMS, Temple University,
  Philadelphia, PA, USA) and Jerome Henin (IBPC, CNRS,
  Paris, France).

  A copy of this code is located in the directory lib/colvars
  and needs to be compiled first. More info about this code
  can be found at: http://colvars.github.io

  and in the publications:

  Using collective variables to drive molecular dynamics
  simulations,
   Giacomo Fiorin, Michael L. Klein & Jérôme Hénin (2013):
   Molecular Physics DOI:10.1080/00268976.2013.813594

  Exploring Multidimensional Free Energy Landscapes Using
  Time-Dependent Biases on Collective Variables,
   J. Hénin, G. Fiorin, C. Chipot, and M. L. Klein,
   J. Chem. Theory Comput., 6, 35-47 (2010).

- the colvars fix and a thin interface layer, which exchanges
  information between LAMMPS and the collective variable module.
  This interface was written and is maintained by
  Axel Kohlmeyer (akohlmey@gmail.com)

See the doc page of fix colvars for more details.

There is a reference manual for the package included with the LAMMPS
doc pages: doc/PDF/colvars-refman-lammps.pdf

There are example scripts for using this package in
examples/USER/colvars.

The person who created this package is Axel Kohlmeyer at Temple U
(akohlmey at gmail.com).  Contact him directly if you have questions.

---------------------------------

Version: 2013-06-27
