README.TXT
b0dec93ffb44lammps-icms

README.TXT
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			# -------- REQUIREMENTS: ---------
			# 1) This example requires the "MANYBODY" package.
			# As of 2012-9, it is included by default, but this may change in the future.
			# 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
			This is a relatively complex example containing two different types of
			molecules, and a hybrid of Lennard-Jones and 3-body SW "pair" styles.

			The cyclododecane molecule uses the
			TraPPE force field for hydrocarbon chains.
			The parameters for the TraPPE force field are
			in a file named "trappe1998.lt" which should be
			located in the MOLTEMPLATE_PATH.
			(See moltemplate installation instructions.)

			The water solvent is implemented using the 3-body single-particle
			coarse-grained "mW" water model:
			Molinero, V. and Moore, E.B., J. Phys. Chem. B 2009, 113, 4008-4016

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

			step 1)
			README_setup.sh

			step 2)
			README_run.sh