Gromacs for Mac OS X and Linux 4.6.5 freeware

It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers. ...

Author Gromacs.org
Released 2013-12-02
Filesize 10.00 MB
Downloads 1062
OS Linux, Mac OS X
Installation Instal And Uninstall
Keywords perform, molecular, biochemical, molecules, biological
Users' rating
(18 rating)
Gromacs for Mac OS X and LinuxOtherLinux, Mac OS X
Our rating 5 freeware award
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Gromacs for Mac OS X and Linux freeware - The Latest User Reviews
Gromacs for Mac OS X and Linux freeware - The Latest Versions History
4.6.5 Dec 2, 2013 New Release * Fixed GPU-load balancing and GPU-sharing bugs introduced in a bug fix in 4.6.4 #1385
* Fixed possible Verlet-scheme memory issue with SIMD on 32-bit builds
* Fixed variable name in documentation
* Fixed harmless bug with useless sorting of bonded interactions in free-energy calculations #1387
4.5.5 Sep 20, 2011 New Release * Improved pdb2gmx -chainsep option and reintroduced the -merge option.
* Fixed mdrun file appending truncating files to 0 bytes when continuation runs stopped before writing new output.
* Fixed COM pulling with multiple constraints checking the convergence of one constraint instead of all.
* Fixed some dihedrals in sugars in Gromos53a5/6 working on the wrong atoms.
* AmberGS force field is now based on Amber94 instead of Amber96.
* Moved hydrogens in Charmm27 protein termini to separate charge groups and added ACE and CT3 residue types.
* Many small fixes which avoid termination with fatal errors or crashes in mdrun and tools.
* Many small updates to the manual pages of programs.

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