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