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GROMACS is a molecular dynamics on parallel computers with MPI or PVM. Some features of the software:

  • Standard Molecular Dynamics simulations
  • Energy minimizations
  • NMR Refinement using NOE data
  • High performance due to well optimized code and smart algorithms
  • Automatic topology generation from a building block library
  • Flexible force field usage
  • Non-Equilibrium Molecular Dynamics
  • Many analysis tools
  • Many preprocessing tools

Current Version:   1.6

License Type:   Free for Non-Commercial Use.

Home Site:

Source Code Availability:   Yes

Available Binary Packages:

  • Debian Package:   No
  • RedHat RPM Package:   No
  • Other Packages:   No

Targeted Platforms:

Where PVM or MPI is available

Software/Hardware Requirements:


Other Links:

Mailing Lists/USENET News Groups:


User Comments:

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