# Use these commands to generate the LAMMPS input script and data file # (and other auxilliary files): # Create LAMMPS input files this way: cd moltemplate_files # run moltemplate moltemplate.sh system.lt # This will generate various files with names ending in *.in* and *.data. # These files are the input files directly read by LAMMPS. Move them to # the parent directory (or wherever you plan to run the simulation). mv -f system.in* system.data ../ # The "table_int.dat" file contains tabular data for the lipid INT-INT atom # 1/r^2 interaction. We need it too. (This slows down the simulation by x2, # so I might look for a way to get rid of it later.) cp -f table_int.dat ../ # Optional: # The "./output_ttree/" directory is full of temporary files generated by # moltemplate. They can be useful for debugging, but are usually thrown away. rm -rf output_ttree/ cd ../