README.TXT
d028daec9273lammm-master-deprecated

README.TXT
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			# This directory demonstrates how to run a long simulation of
			# the "frustrated" coarse-grained protein confined in a frustrated
			# coarse-grained chaperonin (R=6, h=0.475) as described in:
			# AI Jewett, A Baumketner and J-E Shea, PNAS, 101 (36), 13192-13197, (2004)
			# (http://www.pnas.org/content/101/36/13192)
			#
			# Note: If you want to use a "hydrophilic" chaperone (with h=0.0
			# instead of h=0.475), then replace the word "CHAP_INTERIOR_H0.475"
			# (at the end of "system.lt") with "CHAP_INTERIOR_H0"
			#
			# Because this process takes a long time (even with the help of the chaperone)
			# I save the data relatively infrequently.
			#
			# -------- REQUIREMENTS: ---------
			# 1) This example requires the "USER-MISC" package. (Use "make yes-USER-MISC")
			# http://lammps.sandia.gov/doc/Section_start.html#start_3
			# 2) It 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.

			step 1)
			README_setup.sh

			step2)
			README_run.sh