A molecular dynamics primer
with examples in Fortran 90.
You can also download it in your preferred Postscript or PDF format:
| Uncompressed | Compressed | ||
|---|---|---|---|
| A4 paper (Europe) | md.ps (783 kB) | md.ps.gz (168 kB) | md.pdf (435 kB) |
| Letter paper (USA) | md-usa.ps (783 kB) | md-usa.ps.gz (168 kB) | n.a. |
Interatomic potentials and
Force Matching Method
MDBNCH: a Molecular Dynamics benchmark
Tutorial on
Analytic potentials and Molecular Dynamics simulation
by Donald W. Brenner
Scientific Computing
Group at Duke University
(multipole N-body algorithms, distributed Ewald computations)
Center for
Atomic-scale Materials Physics at the Tech. U. of Denmark,
including various simulation s/w, and
Ole Nielsen's page
Center for Materials
Simulation at the U. of Connecticut
Parallel codes:
DL_POLY,
EGO,
GROMACS,
LAMMPS,
NAMD,
Nielsen's.
Graphics:
Molecular Visualization
Resources,
OpenScience Project,
BallRoom,
PyMOL,
RasMol, Protein Explorer,
Swiss PDB Viewer,
VMD