lammps/examples/USER/cg-cmm

LAMMPS cmm-cg example problems

Each of these sub-directories contains a sample problem for the CMM
coarse grained MD potentials that you can run with LAMMPS.  The
represent some typical uses and are also used to verify the
implmentation in LAMMPS.

Each problem has an input script (in.*) and produces a log file
(log.*) and trajectory file in compressed .xtc format (*.xtc) when it
runs.  Inputs are usually set up to read the start configuration and
topology from a data file (data.*) and the matching force field
parameter from an include file (parms.*).

A few sample log file outputs on different machines and different
numbers of processors are included in the directories to compare your
answers to.  E.g. a log file like log.crack.date.foo.P means it ran on
P processors of machine "foo" with the dated version of LAMMPS.  Note
that these problems should get statistically similar answers when run
on different machines or different numbers of processors, but not
identical answers to those in the log of dump files included here.
See the Errors section of the LAMMPS documentation for more
discussion.

The examples also provide matching topology files for visualization
(*.psf) so that the .xtc trajectories can be visualized with VMD.

These are the sample systems the various sub-directories:

peg-verlet:	coarse grained PEG surfactant/water mixture lamella
		verlet version
		this example uses the plain LJ term only, no charges

(more to come)