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Gromacs for Mac OS X and Linux 4.6.5 freeware

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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 Currently 3.00/5 1 2 3 4 5
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Gromacs for Mac OS X and Linux freeware - The Latest User Reviews

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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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