Input examples

Download input files for all examples at once: tar.gz file: examples.tar.gz zip file: examples.zip Both clean and commented input files can be used. Important: If you are using Windows or DOS and you get some input/output error when using these files, open each file in the wordpad, save them as "txt" and try again. These examples were run in a VAIO NR11Z/S laptop. Times may vary for similar problems depending on how hard is to find the packing solution.

	Simple mixture of water and urea	[Click on the Images]
	Commented input file: mixture-comment.inp Clean input file: mixture.inp Molecules needed: water.pdb urea.pdb Output file: mixture.pdb Running time: 5 seconds Number of atoms: 6200 Number of molecules: 1400 Number of variables: 8400
	Hormone in an interface of water and chloroform
	Commented input file: interface-comment.inp Clean input file: interface.inp Molecules needed: water.xyz chlor.xyz t3.xyz Output file: interface.xyz Running time: 2.1 seconds Number of atoms: 4087 Number of molecules: 1219 Number of variables: 7308
	Lipid bilayer with water over and below
	Commented input file: bilayer-comment.inp Clean input file: bilayer.inp Molecules needed: palmitoil.pdb water.pdb Output file: bilayer.pdb Running time: 26 seconds Number of atoms: 7200 Number of molecules: 1100 Number of variables: 6600
	Double layered spherical vesicle with water inside and outside
	Commented input file: spherical-comment.inp Clean input file: spherical.inp Molecules needed: palmitoil.pdb water.pdb Output file: spherical.pdb Running time: 3 minutes Number of atoms: 69912 Number of molecules: 18234 Number of variables: 109404
	4246 atom protein spherically solvated by water and ions.
	Commented input file: solvprotein-comment.inp Clean input file: solvprotein.inp Molecules needed: protein.pdb water.pdb CLA.pdb SOD.pdb Output file: solvprotein.pdb Running time: 39 seconds Number of atoms: 53796 Number of molecules: 16551 Number of variables: 99300	Reference: Martínez L., et al. J. Med. Chem. 49 (1) 23-26, 2006.