GROMACS
A Molecular Dynamics Program

GROMACS is a molecular dynamics program.

GROMACS is a program which performs molecular dynamics and energy minimization.

• the simulations are classical;
• electrons are in the ground state;
• force fields are approximate;
• the force field is pair-additive;
• long range interactions are cut off;
• boundary conditions are periodic;

GROMACS can be run in parallel, on any system which includes the MPI library.

Related Data and Programs:

FFTW3 is a Fast Fourier Transform package used by GROMACS.

MD1 is a molecular dynamics simulation program.

MD2 is a molecular dynamics simulation program.

MD3 is a molecular dynamics simulation program.

MD3GLUE is a molecular dynamics simulation program.

MDBNCH is a benchmark molecular simulation calculation.

The MPI library is used when GROMACS is run in parallel.

Reference:

1. http://www.gromacs.org,
   the GROMACS web site.
2. gromacs.pdf,
   David van der Spoel, Erik Lindahl, Berk Hess, Aldert van Buuren, Emile Apol, Pieter Meulenhoff, Peter Tieleman, Alfons Sijbers, Anton Feenstra, Rudi van Drunen, Herman Berendsen,
   The GROMACS User Manual,
   Groningen Machine for Chemical Simulation,
   Version 3.2.

Examples and Tests:

You can go up one level to the EXAMPLES page.