Chapter2.txt

>./packmol < [].INP

tolerance 2.0
# The file type of input and output files is PDB.
filetype pdb
# The name of the output file.
output MeOHMix40.pdb
structure water.pdb
  number 2207
  inside box 0. 0. 0. 60. 60. 70.
end structure
structure methanol.pdb
  number 576
  inside box 0. 0. 0. 60. 60. 70.
end structure

pbc box -center unitcell -color black -style tubes -width 1 -shiftcenter { 0 0 0 }