README.TXT
7b5385eac6bblammps-icms

README.TXT
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			# This directory demonstrates how to run a short simulation of
			# the "frustrated" coarse-grained protein model used in:
			# AI Jewett, A Baumketner and J-E Shea, PNAS, 101 (36), 13192-13197, (2004)
			# (http://www.pnas.org/content/101/36/13192)
			#
			# During this short simulation (run_short_sim.nvt.in) the protein evolves
			# from an unfolded initial conformation to a misfolded conformation.
			# (Visualize using VMD. Note: It can take hundreds of millions of
			# timesteps to escape from this conformation and reach the folded state.)
			#
			# -------- 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