Computer code

Water and trisiloxane surfactant in vacuum:
      TAR.GZ (108.0 kB) | F90 (84.3 kB) | MOV (9.6 MB)

Fast multipole algorithm (level 4):
      F90 (40.2 kB)

Parallel code to simulate a Lennard-Jones fluid in a box with soft walls:
      F90 (47.9 kB) | MOV (39.6 MB)

Subroutine to write PDB files for dynamic particle simulations:
      F90 (1.7 kB)

Subroutine to initialize surfactant molecules on the surface of a water cluster:
      F90 (18.1 kB)

Subroutine to create a graphite substrate:
      F90 (2.7 kB)

Perl script that generates a PyMol script to create ray traced images:
      PL (1.5 kB)

Program to draw C12E4 surfactant molecules different colors:
      F90 (5.2 kB)

Program to convert a PDB file into a DAT file:
      F90 (1.1 kB)

Program to show only a slab of molecules of a PDB file:
      F90 (7.3 kB)

Program to find the minimum rectangular volume that holds all the PDB atoms:
      F90 (1.3 kB)

Program to shift the z-coordinates of the PDB atoms:
      F90 (0.6 kB)

Program to find the center of mass:
      F90 (0.6 kB)

NAMD

Parameter file for SPC/E water and surfactants:
      INP (3.6 kB)

PDB file generator for periodic systems:
      TAR.GZ (3.9 kB)

PSF file generator for TSE4:
      F (19.6 kB)

PSF file generator for C12E4:
      F (12.5 kB)