However, its use on Windows OS is somewhat tricky.
1. Install Cygwin (https://cygwin.com/install.html). Installation of required packages + python should be good enough.
2. Copy all Moltemplate files to C:\cygwin64\home\moltemplate
3. Open "C:\cygwin64\home\username\.bash_profile" in a text editor. Add a new PATH (in yellow) to a section "# Set PATH so it includes user's private bin if it exists". For example,
# Set PATH so it includes user's private bin if it exists
# if [ -d "${HOME}/bin" ] ; then
PATH="/bin/:/home/moltemplate/"
# fi
In Cygwin console (terminal), we can check if the PATH is correctly set by typing "echo $PATH"
5. Place examples (http://www.moltemplate.org/) in C:\cygwin64\home\moltemplate\examples
6. In Cygwin command window (console or teminal), navigate an example folder
(e.g., cd /home/moltemplate/examples/all_atom_examples/force_field_explicit/waterSPCE+Na+Cl/moltemplate_files)
7. In Cygwin command window, type:
moltemplate.sh -atomstyle "full" system.lt
or
moltemplate.sh -xyz system.xyz -atomstyle "full" system.lt
(This will use a premade xyz configuration of system, e.g., system.xyz).
LAMMPS input and data files will be created. (e.g., system.in and system.data)
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