See also. gromacs, gromacs4. 6intel12. 1 (default), All versions available for gromacs. Gromacs General documentation for gromacs Modules Full list of software modules Older releases.
Older releases can be found in the table below, for which there are installation instructions. Next to the downloads are their md5sum if you want to verify the correctness of the download. GROMACSGroningen Machine for Chemical Simulations USER MANUAL Version 4. 5 GROMACS USER MANUAL Version 4. 5 Gromacs Manual 4. 5. Home; Documents Gromacs Manual 4. 5 Description. The mdrun program is the main computational chemistry engine within GROMACS.
Obviously, it performs Molecular Dynamics simulations, but it can also perform Stochastic Dynamics, Energy Minimization, test particle insertion or (re)calculation of energies.
Manual and GROMACS versions We try to release an updated version of the manual whenever we release a new version of the soft ware, so in general it is a good idea to use a manual with the same major and minor release number Berendsen, Gromacs User Manual version However, we prefer that you cite (some of) the GROMACS papers [1, 2, 3, 4, 5 when GROMACS USER MANUAL (Version 5. 0rc1) October 2014 GROMACS (GROningen MAchine for Chemical Simulations) is a molecular dynamics package primarily designed for simulations of proteins, lipids and This page no longer contains the latest GROMACS documentation.
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