README.sh
ceb4da003907lammps-icms

README.sh
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			# This is a small version of a carbon-nanotube, water capillary system.
			# It was inspired by this paper:
			#
			# Laurent Joly, J. Chem. Phys. 135(21):214705 (2011)
			#
			# Note: To investigate the behavior from that paper, you would have to increase
			# the spacing between the two graphene sheets to prevent the water from
			# making contact with the lower graphene wall.
			#
			# Requirements: 1) Set your $MOLTEMPLATE_PATH variable
			# 2) The "RIGID" LAMMPS package may be needed later
			# To run this system at constant pressure, it might help to compile LAMMPS with
			# the optional RIGID package, and use "fix rigid" on the carbon. (Optional.)
			#
			# Also, if you have not yet done this set your MOLTEMPLATE_PATH environment
			# variable to access it. (See installation instructions.)
			# Most likely some of the files in this example (like graphene.lt, tip3p2004.lt)
			# are not in this directory, but are in the "common" directory.
			# Set MOLTEMPLATE_PATH to point to the "common" directory.
			#
			# -----------------------------------------------------------
			#
			# To run moltemplate, use:

			moltemplate.sh system.lt

			# This will generate:system.data, system.in, system.in.init, system.in.settings