Structural Biology Software Database
Structural Biology Software Database

Application Index Record

Category: Molecular Dynamics
GROMACS (GROningen MAchine for Chemical Simulations)
Last Update: 07-18-2002

GROMACS is a high performance Molecular Dynamics Program for Parallel Computers using a well optimized code and smart algorithms. It is reasonably well optimized for low memory usage. The most CPU-intensive routines are in Fortran, but C routines are also available. GROMACS runs on almost every platform (version 2.0 also runs on Windows95/NT using CygWin). Standard Makefiles are available for DEC, HP, Linux, SGI, Sun, SP2, Convex and some Cray machines. All Makefiles support multi-processor machines. It is free for non-commercial users.


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