Fedora 13 Update: gromacs-4.5.1-1.fc13

updates at fedoraproject.org updates at fedoraproject.org
Thu Oct 21 06:03:52 UTC 2010


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Fedora Update Notification
FEDORA-2010-16114
2010-10-11 18:56:55
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Name        : gromacs
Product     : Fedora 13
Version     : 4.5.1
Release     : 1.fc13
URL         : http://www.gromacs.org
Summary     : Fast, Free and Flexible Molecular Dynamics
Description :
GROMACS is a versatile and extremely well optimized package to perform
molecular dynamics computer simulations and subsequent trajectory analysis.
It is developed for biomolecules like proteins, but the extremely high
performance means it is used also in several other field like polymer chemistry
and solid state physics.

This package provides single and double precision binaries.
The documentation is in the package gromacs-common.

mdrun has been compiled with thread parallellization, so it runs in parallel
on shared memory systems. If you want to run on a cluster, you probably want
to install one of the MPI parallellized packages.

N.B. All binaries have names starting with g_, for example mdrun has been
renamed to g_mdrun.

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Update Information:

Update to 4.5.1, bringing improved scaling by better PME decompositions and memory usage and AMBER and CHARMM27 force fields, see full list at http://www.gromacs.org/About_Gromacs/Release_Notes/Version_4.5 .
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ChangeLog:

* Sat Oct  9 2010 Jussi Lehtola <jussilehtola at fedoraproject.org> - 4.5.1-1
- Update to 4.5.1.
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This update can be installed with the "yum" update program.  Use 
su -c 'yum update gromacs' at the command line.
For more information, refer to "Managing Software with yum",
available at http://docs.fedoraproject.org/yum/.

All packages are signed with the Fedora Project GPG key.  More details on the
GPG keys used by the Fedora Project can be found at
https://fedoraproject.org/keys
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