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Navigation: Freeware Home - Education - Other - Gromacs for Mac OS X and Linux

Gromacs for Mac OS X and Linux 4.5.5 freeware     Save this freeware to your freeware selection - Saved Freeware


Author

Gromacs.org
OS Linux, Mac OS X
Date Released September 20, 2011
Downloads 77
Filesize 9.92 MB
Keywords perform, molecular, biochemical, molecules, biological
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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. ...

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Article - Gromacs for Mac OS X and Linux freeware - The Latest Versions History

Version Date Released Status Release Notes
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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