These are examples for the "moltemplate" molecule builder for LAMMPS.
http://www.moltemplate.org
Each directory contains one or more examples.
Each example directory contains:
images/ This folder has pictures of the molecules in the system
moltemplate_files/ This folder contains LT files and other auxiliary files
README_setup.sh Instructions for how to use moltemplate (executable)
README_visualize.txt Instructions for viewing in DATA/DUMP files in VMD
...and one or more LAMMPS input scripts with names like
run.in.min
run.in.npt
run.in.nvt
You can run these scripts using
lmp_linux -i run.in.npt
(The name of your lammps binary, "lmp_linux" in this example, may vary.
Sometimes, these scripts must be run in a certain order. For example
it may be necessary to run run.in.min to minimize the system before
you can run the other scripts. These files have not been optimized.)
