README.TXT
ceb4da003907lammm-devel

README.TXT
View Options

			# This directory contains examples of how to run a short simulation of a
			# coarse-grained protein-like polymer, folding in the presence and absence of
			# a chaperone (modeled as an attractive or repulsie spherical shell).
			#
			# The protein models and the chaperone models are described and used here:
			# AI Jewett, A Baumketner and J-E Shea, PNAS, 101 (36), 13192-13197, (2004)
			# (http://www.pnas.org/content/101/36/13192)
			# ...and also here:
			# AI Jewett and J-E Shea, J. Mol. Biol, Vol 363(5), (2006)
			#
			# (In the "frustrated+minichaperone" directory, the protein is
			# placed outside the chaperone sphere, as opposed to inside.)
			#
			# -------- REQUIREMENTS: ---------
			# 1) These examples require the "USER-MISC" package. (Use "make yes-USER-MISC")
			# http://lammps.sandia.gov/doc/Section_start.html#start_3
			# 2) They also may require additional features and bug fixes for LAMMPS.
			# be sure to download and copy the "additional_lammps_code" from
			# http://moltemplate.org (upper-left corner menu)
			# 3) Unpack it
			# 4) copy the .cpp and .h files to the src folding of your lammps installation.
			# 5) Compile LAMMPS.
			#

			-------------
			Instructions on how to build LAMMPS input files and
			run a short simulation are provided in other README files in each directory.

			step 1)
			README_setup.sh

			step2)
			README_run.sh