lammps/tools/moltemplate/examples16eed7a05366lammm-master-deprecated
lammps/tools/moltemplate/examples
16eed7a05366lammm-master-deprecated
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.)
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.)
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