Gromacs for Mac OS X and Linux 4.6.5 freeware
... 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 | 1066 |
| OS | Linux, Mac OS X |
| Installation | Instal And Uninstall |
| Keywords | perform, molecular, biochemical, molecules, biological |
| Users' rating (18 rating) |
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| Our rating |
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Gromacs for Mac OS X and Linux Free Download - we do not host any Gromacs for Mac OS X and Linux torrent files or links of Gromacs for Mac OS X and Linux on rapidshare.com, depositfiles.com, megaupload.com etc. All Gromacs for Mac OS X and Linux download links are direct Gromacs for Mac OS X and Linux download from publisher site or their selected mirrors.
| 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. |
