Molecular dynamics


* A molecular dynamics primer with examples in Fortran 90.
    You can also download it in your preferred Postscript or PDF format:
 UncompressedCompressedPDF
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


Furio Ercolessi

Note: I am not an international molecular dynamics help desk facility. I do not solve research problems or exam exercises via email. Sorry.