Fedora 22 Update: gromacs-5.0.7-1.fc22

updates at fedoraproject.org updates at fedoraproject.org
Mon Nov 30 23:26:54 UTC 2015


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Fedora Update Notification
FEDORA-2015-cdf0997824
2015-11-30 18:49:49.422731
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Name        : gromacs
Product     : Fedora 22
Version     : 5.0.7
Release     : 1.fc22
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:

Latest release from the 5.0.x branch. Changes since 5.0.6:  * Fixes made to 4.6
since 4.6.7 are also incorporated in 5.0.7, as applicable * Fixed a bug in
computational electrophysiology with DD. Non-master ranks did not correctly
compute the center of "broken" water molecules chosen for position exchanges.
This would lead to a crash soon after such a water was exchanged with an ion. *
Fixed bug in the computation of Coefficient of Thermal Expansion. * Fixed
possible integer overflow in analysis of long simulations in gmx_wham. * Fixed
segmentation fault in gmx chi with custom residues. #1802 * Made it easier to
find selection help #1805 * Fix docs of ftypes of dihedrals The ftype indices
for restricted dihedrals and combined bending-torsion interactions were
documented the wrong way around. #1796 * Fix possible linking of libxml2 to
zlib. * Stopped mdrun printing potentially undefined pressure value.
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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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