This example was intended to demonstrate the flexibility of LAMMPS and
moltemplate.

This is a relatively complex example containing two different types of
coarse-grained (united-atom) molecules.  This simulation uses the 3-body
(non-pairwise-additive) coarse-grained "mW" water model:
Molinero, V. and Moore, E.B., J. Phys. Chem. B 2009, 113, 4008-4016
Simulations using the "mW" water model can be several orders of magnitude
faster than simulations using simple all-atom models such as SPCE or TIP3P.

The united-atom TraPPE force field was used for the cyclododecane molecules.

Any force-field available in LAMMPS can be used with moltemplate. New force-fields are added by end users regularly. For a current list, see:
http://lammps.sandia.gov/doc/Section_commands.html#pair-style-potentials

More detailed instructions on how to build LAMMPS input files and 
run a short simulation are provided in other README files.


---- Note: When we run moltemplate.sh, we should use: ----

  moltemplate.sh -a "@atom:WatMW/mW 1" system.lt

      Instead of

  moltemplate.sh system.lt   (which is the normal way to run it)

  Each atom type (eg "mW") must be assigned to an integer (because LAMMPS
  does not understand descriptive names).  Normally LAMMPS does not care what
  these numbers are, however many-body force-fields (used in this example)
  are an exception.  Here we just want to make sure that the "mW" atom
  type is assigned to number "1" so we use -a "@atom:WatMW/mW 1"
  (Note: The full-name of the atom is "WatMW/mW", not "mW", because it is 
   part of the "WatMW" molecule-object.  See "watmw.lt" for details.)

-------- REQUIREMENTS: ---------

  This example requires the "MANYBODY" package.
  If lammps complains of a missing pair style enter "make yes-MANYBODY"
  into the shell before compiling lammps.  For details see:
  http://lammps.sandia.gov/doc/Section_start.html#start_3