Fedora 23 Update: gromacs-5.1.1-1.fc23

updates at fedoraproject.org updates at fedoraproject.org
Fri Nov 27 18:23:58 UTC 2015


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Fedora Update Notification
FEDORA-2015-16ed113ef8
2015-11-27 16:47:54.519040
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Name        : gromacs
Product     : Fedora 23
Version     : 5.1.1
Release     : 1.fc23
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:

Multiple bugfixes (from upstream changelog
http://manual.gromacs.org/documentation/5.1.1/ReleaseNotes/index.html):  *
Incorporated all fixes made in version 5.0.7 * Fixed bugs with intermol
interactions and DD * Fixed intermolecular interactions with small mols * Fixed
signalling on some platforms * Added code to detect incorrect cycle counting *
Fixed wallcycle subcounters * Removed dihedrals from GLY .rtp entry. * Improved
NVML support * Fixed nbnxn_4xN performance regression * Fixed syntax of PME
tuning error message * Made bash completions work with bash –posix * Fixed mdrun
-nb auto -rerun with GPU and energy groups * Fixed -seltype option for C++ tools
* Fixed a reaction-field warning message
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References:

  [ 1 ] Bug #1279846 - gromacs-5.1.1 is available
        https://bugzilla.redhat.com/show_bug.cgi?id=1279846
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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 https://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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