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)