forked from lijiext/lammps
2ed7d366a6 | ||
---|---|---|
.. | ||
all_atom_examples | ||
coarse_grained_examples | ||
file_conversion_examples | ||
misc_examples | ||
README.TXT |
README.TXT
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 use run.in.npt, and later run.in.nvt. The README_run.sh file in each subdirectory specifies indicates the order. These files have not been optimized.)