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