gromacs-4.6.6-4.mga6.i586.rpm


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Description

gromacs - Molecular dynamics package (non-mpi version)

Distribution: Mageia Cauldron
Repository: Mageia Core i586
Package name: gromacs
Package version: 4.6.6
Package release: 4.mga6
Package architecture: i586
Package type: rpm
Installed size: 17.78 MB
Download size: 3.92 MB
Official Mirror: distrib-coffee.ipsl.jussieu.fr
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.

Alternatives

Provides

  • gromacs == 4.6.6-4.mga6
  • gromacs(x86-32) == 4.6.6-4.mga6
  • libgmx.so.8
  • libgmxana.so.8
  • libgmxpreprocess.so.8
  • libmd.so.8

    Download

    Install Howto

    1. Enable Mageia Core repository on "Install and Remove Software"
    2. Update packages list:
      # urpmi.update -a
    3. Install gromacs rpm package:
      # urpmi gromacs

    Files

    • /usr/bin/GMXRC
    • /usr/bin/GMXRC.bash
    • /usr/bin/GMXRC.csh
    • /usr/bin/GMXRC.zsh
    • /usr/bin/completion.bash
    • /usr/bin/completion.csh
    • /usr/bin/completion.zsh
    • /usr/bin/demux.pl
    • /usr/bin/do_dssp
    • /usr/bin/editconf
    • /usr/bin/eneconv
    • /usr/bin/g_anadock
    • /usr/bin/g_anaeig
    • /usr/bin/g_analyze
    • /usr/bin/g_angle
    • /usr/bin/g_bar
    • /usr/bin/g_bond
    • /usr/bin/g_bundle
    • /usr/bin/g_chi
    • /usr/bin/g_cluster
    • /usr/bin/g_clustsize
    • /usr/bin/g_confrms
    • /usr/bin/g_covar
    • /usr/bin/g_current
    • /usr/bin/g_density
    • /usr/bin/g_densmap
    • /usr/bin/g_densorder
    • /usr/bin/g_dielectric
    • /usr/bin/g_dipoles
    • /usr/bin/g_disre
    • /usr/bin/g_dist
    • /usr/bin/g_dos
    • /usr/bin/g_dyecoupl
    • /usr/bin/g_dyndom
    • /usr/bin/g_enemat
    • /usr/bin/g_energy
    • /usr/bin/g_filter
    • /usr/bin/g_gyrate
    • /usr/bin/g_h2order
    • /usr/bin/g_hbond
    • /usr/bin/g_helix
    • /usr/bin/g_helixorient
    • /usr/bin/g_hydorder
    • /usr/bin/g_kinetics
    • /usr/bin/g_lie
    • /usr/bin/g_luck
    • /usr/bin/g_mdmat
    • /usr/bin/g_membed
    • /usr/bin/g_mindist
    • /usr/bin/g_morph
    • /usr/bin/g_msd
    • /usr/bin/g_nmeig
    • /usr/bin/g_nmens
    • /usr/bin/g_nmtraj
    • /usr/bin/g_options
    • /usr/bin/g_order
    • /usr/bin/g_pme_error
    • /usr/bin/g_polystat
    • /usr/bin/g_potential
    • /usr/bin/g_principal
    • /usr/bin/g_protonate
    • /usr/bin/g_rama
    • /usr/bin/g_rdf
    • /usr/bin/g_rms
    • /usr/bin/g_rmsdist
    • /usr/bin/g_rmsf
    • /usr/bin/g_rotacf
    • /usr/bin/g_rotmat
    • /usr/bin/g_saltbr
    • /usr/bin/g_sans
    • /usr/bin/g_sas
    • /usr/bin/g_select
    • /usr/bin/g_sgangle
    • /usr/bin/g_sham
    • /usr/bin/g_sigeps
    • /usr/bin/g_sorient
    • /usr/bin/g_spatial
    • /usr/bin/g_spol
    • /usr/bin/g_tcaf
    • /usr/bin/g_traj
    • /usr/bin/g_tune_pme
    • /usr/bin/g_vanhove
    • /usr/bin/g_velacc
    • /usr/bin/g_wham
    • /usr/bin/g_wheel
    • /usr/bin/g_x2top
    • /usr/bin/genbox
    • /usr/bin/genconf
    • /usr/bin/genion
    • /usr/bin/genrestr
    • /usr/bin/gmxcheck
    • /usr/bin/gmxdump
    • /usr/bin/grompp
    • /usr/bin/make_edi
    • /usr/bin/make_ndx
    • /usr/bin/mdrun
    • /usr/bin/mk_angndx
    • /usr/bin/pdb2gmx
    • /usr/bin/tpbconv
    • /usr/bin/trjcat
    • /usr/bin/trjconv
    • /usr/bin/trjorder
    • /usr/bin/xplor2gmx.pl
    • /usr/bin/xpm2ps
    • /usr/lib/libgmx.so.8
    • /usr/lib/libgmxana.so.8
    • /usr/lib/libgmxpreprocess.so.8
    • /usr/lib/libmd.so.8
    • /usr/share/doc/gromacs/AUTHORS
    • /usr/share/doc/gromacs/COPYING
    • /usr/share/doc/gromacs/README
    • /usr/share/gromacs/COPYING
    • /usr/share/gromacs/README.tutor
    • /usr/share/gromacs/README_FreeEnergyModifications.txt
    • /usr/share/gromacs/html/
    • /usr/share/gromacs/html/images/1ctf-0.2.jpg
    • /usr/share/gromacs/html/images/1ctf-0.5.jpg
    • /usr/share/gromacs/html/images/1ctf-0.jpg
    • /usr/share/gromacs/html/images/1ctf-1.jpg
    • /usr/share/gromacs/html/images/1ctf-10.jpg
    • /usr/share/gromacs/html/images/1ctf-4.jpg
    • /usr/share/gromacs/html/images/articles.gif
    • /usr/share/gromacs/html/images/bench.gif
    • /usr/share/gromacs/html/images/charts_down.gif
    • /usr/share/gromacs/html/images/charts_up.gif
    • /usr/share/gromacs/html/images/faq.gif
    • /usr/share/gromacs/html/images/features.gif
    • /usr/share/gromacs/html/images/flow_down.gif
    • /usr/share/gromacs/html/images/flow_downleft.gif
    • /usr/share/gromacs/html/images/flow_hline.gif
    • /usr/share/gromacs/html/images/flow_left.gif
    • /usr/share/gromacs/html/images/flow_leftright.gif
    • /usr/share/gromacs/html/images/flow_leftrightdown.gif
    • /usr/share/gromacs/html/images/flow_leftrightup.gif
    • /usr/share/gromacs/html/images/flow_leftup.gif
    • /usr/share/gromacs/html/images/flow_right+left.gif
    • /usr/share/gromacs/html/images/flow_right.gif
    • /usr/share/gromacs/html/images/flow_rightleftdown.gif
    • /usr/share/gromacs/html/images/flow_uprightleft.gif
    • /usr/share/gromacs/html/images/flow_vline.gif
    • /usr/share/gromacs/html/images/flow_vrule.gif
    • /usr/share/gromacs/html/images/gmxlogo_small.jpg
    • /usr/share/gromacs/html/images/gmxlogo_small.png
    • /usr/share/gromacs/html/images/links.gif
    • /usr/share/gromacs/html/images/mail.gif
    • /usr/share/gromacs/html/images/manual.gif
    • /usr/share/gromacs/html/images/plotje.gif
    • /usr/share/gromacs/html/images/rainbow.gif
    • /usr/share/gromacs/html/images/software.gif
    • /usr/share/gromacs/html/images/topologies.gif
    • /usr/share/gromacs/html/images/xvgr.gif
    • /usr/share/gromacs/html/online/ADD_INCLUDE
    • /usr/share/gromacs/html/online/cpt.html
    • /usr/share/gromacs/html/online/dat.html
    • /usr/share/gromacs/html/online/dlg.html
    • /usr/share/gromacs/html/online/do_dssp.html
    • /usr/share/gromacs/html/online/edi.html
    • /usr/share/gromacs/html/online/editconf.html
    • /usr/share/gromacs/html/online/edo.html
    • /usr/share/gromacs/html/online/edr.html
    • /usr/share/gromacs/html/online/ene.html
    • /usr/share/gromacs/html/online/eneconv.html
    • /usr/share/gromacs/html/online/eps.html
    • /usr/share/gromacs/html/online/files.html
    • /usr/share/gromacs/html/online/flow.html
    • /usr/share/gromacs/html/online/g87.html
    • /usr/share/gromacs/html/online/g96.html
    • /usr/share/gromacs/html/online/g_anadock.html
    • /usr/share/gromacs/html/online/g_anaeig.html
    • /usr/share/gromacs/html/online/g_analyze.html
    • /usr/share/gromacs/html/online/g_angle.html
    • /usr/share/gromacs/html/online/g_bar.html
    • /usr/share/gromacs/html/online/g_bond.html
    • /usr/share/gromacs/html/online/g_bundle.html
    • /usr/share/gromacs/html/online/g_chi.html
    • /usr/share/gromacs/html/online/g_cluster.html
    • /usr/share/gromacs/html/online/g_clustsize.html
    • /usr/share/gromacs/html/online/g_confrms.html
    • /usr/share/gromacs/html/online/g_covar.html
    • /usr/share/gromacs/html/online/g_current.html
    • /usr/share/gromacs/html/online/g_density.html
    • /usr/share/gromacs/html/online/g_densmap.html
    • /usr/share/gromacs/html/online/g_densorder.html
    • /usr/share/gromacs/html/online/g_dielectric.html
    • /usr/share/gromacs/html/online/g_dipoles.html
    • /usr/share/gromacs/html/online/g_disre.html
    • /usr/share/gromacs/html/online/g_dist.html
    • /usr/share/gromacs/html/online/g_dos.html
    • /usr/share/gromacs/html/online/g_dyecoupl.html
    • /usr/share/gromacs/html/online/g_dyndom.html
    • /usr/share/gromacs/html/online/g_enemat.html
    • /usr/share/gromacs/html/online/g_energy.html
    • /usr/share/gromacs/html/online/g_filter.html
    • /usr/share/gromacs/html/online/g_gyrate.html
    • /usr/share/gromacs/html/online/g_h2order.html
    • /usr/share/gromacs/html/online/g_hbond.html
    • /usr/share/gromacs/html/online/g_helix.html
    • /usr/share/gromacs/html/online/g_helixorient.html
    • /usr/share/gromacs/html/online/g_hydorder.html
    • /usr/share/gromacs/html/online/g_kinetics.html
    • /usr/share/gromacs/html/online/g_lie.html
    • /usr/share/gromacs/html/online/g_mdmat.html
    • /usr/share/gromacs/html/online/g_membed.html
    • /usr/share/gromacs/html/online/g_mindist.html
    • /usr/share/gromacs/html/online/g_morph.html
    • /usr/share/gromacs/html/online/g_msd.html
    • /usr/share/gromacs/html/online/g_nmeig.html
    • /usr/share/gromacs/html/online/g_nmens.html
    • /usr/share/gromacs/html/online/g_nmtraj.html
    • /usr/share/gromacs/html/online/g_options.html
    • /usr/share/gromacs/html/online/g_order.html
    • /usr/share/gromacs/html/online/g_pme_error.html
    • /usr/share/gromacs/html/online/g_polystat.html
    • /usr/share/gromacs/html/online/g_potential.html
    • /usr/share/gromacs/html/online/g_principal.html
    • /usr/share/gromacs/html/online/g_protonate.html
    • /usr/share/gromacs/html/online/g_rama.html
    • /usr/share/gromacs/html/online/g_rdf.html
    • /usr/share/gromacs/html/online/g_rms.html
    • /usr/share/gromacs/html/online/g_rmsdist.html
    • /usr/share/gromacs/html/online/g_rmsf.html
    • /usr/share/gromacs/html/online/g_rotacf.html
    • /usr/share/gromacs/html/online/g_rotmat.html
    • /usr/share/gromacs/html/online/g_saltbr.html
    • /usr/share/gromacs/html/online/g_sans.html
    • /usr/share/gromacs/html/online/g_sas.html
    • /usr/share/gromacs/html/online/g_select.html
    • /usr/share/gromacs/html/online/g_sgangle.html
    • /usr/share/gromacs/html/online/g_sham.html
    • /usr/share/gromacs/html/online/g_sigeps.html
    • /usr/share/gromacs/html/online/g_sorient.html
    • /usr/share/gromacs/html/online/g_spatial.html
    • /usr/share/gromacs/html/online/g_spol.html
    • /usr/share/gromacs/html/online/g_tcaf.html
    • /usr/share/gromacs/html/online/g_traj.html
    • /usr/share/gromacs/html/online/g_tune_pme.html
    • /usr/share/gromacs/html/online/g_vanhove.html
    • /usr/share/gromacs/html/online/g_velacc.html
    • /usr/share/gromacs/html/online/g_wham.html
    • /usr/share/gromacs/html/online/g_wheel.html
    • /usr/share/gromacs/html/online/g_x2top.html
    • /usr/share/gromacs/html/online/g_xrama.html
    • /usr/share/gromacs/html/online/genbox.html
    • /usr/share/gromacs/html/online/genconf.html
    • /usr/share/gromacs/html/online/genion.html
    • /usr/share/gromacs/html/online/genpr.html
    • /usr/share/gromacs/html/online/genrestr.html
    • /usr/share/gromacs/html/online/getting_started.html
    • /usr/share/gromacs/html/online/gmxcheck.html
    • /usr/share/gromacs/html/online/gmxdemo.html
    • /usr/share/gromacs/html/online/gmxdump.html
    • /usr/share/gromacs/html/online/gro.html
    • /usr/share/gromacs/html/online/grompp.html
    • /usr/share/gromacs/html/online/hat.html
    • /usr/share/gromacs/html/online/highway.html
    • /usr/share/gromacs/html/online/include_bot.html
    • /usr/share/gromacs/html/online/include_top.html
    • /usr/share/gromacs/html/online/itp.html
    • /usr/share/gromacs/html/online/log.html
    • /usr/share/gromacs/html/online/m2p.html
    • /usr/share/gromacs/html/online/make_edi.html
    • /usr/share/gromacs/html/online/make_ndx.html
    • /usr/share/gromacs/html/online/map.html
    • /usr/share/gromacs/html/online/mdp.html
    • /usr/share/gromacs/html/online/mdp_opt.html
    • /usr/share/gromacs/html/online/mdrun.html
    • /usr/share/gromacs/html/online/methanol.html
    • /usr/share/gromacs/html/online/mixed.html
    • /usr/share/gromacs/html/online/mk_angndx.html
    • /usr/share/gromacs/html/online/mtx.html
    • /usr/share/gromacs/html/online/ndx.html
    • /usr/share/gromacs/html/online/ngmx.html
    • /usr/share/gromacs/html/online/options.html
    • /usr/share/gromacs/html/online/out.html
    • /usr/share/gromacs/html/online/pdb.html
    • /usr/share/gromacs/html/online/pdb2gmx.html
    • /usr/share/gromacs/html/online/protonate.html
    • /usr/share/gromacs/html/online/protunf.html
    • /usr/share/gromacs/html/online/rtp.html
    • /usr/share/gromacs/html/online/speptide.html
    • /usr/share/gromacs/html/online/style.css
    • /usr/share/gromacs/html/online/tex.html
    • /usr/share/gromacs/html/online/top.html
    • /usr/share/gromacs/html/online/tpa.html
    • /usr/share/gromacs/html/online/tpb.html
    • /usr/share/gromacs/html/online/tpbconv.html
    • /usr/share/gromacs/html/online/tpr.html
    • /usr/share/gromacs/html/online/trj.html
    • /usr/share/gromacs/html/online/trjcat.html
    • /usr/share/gromacs/html/online/trjconv.html
    • /usr/share/gromacs/html/online/trjorder.html
    • /usr/share/gromacs/html/online/trr.html
    • /usr/share/gromacs/html/online/water.html
    • /usr/share/gromacs/html/online/wheel.html
    • /usr/share/gromacs/html/online/x2top.html
    • /usr/share/gromacs/html/online/xpm.html
    • /usr/share/gromacs/html/online/xpm2ps.html
    • /usr/share/gromacs/html/online/xrama.html
    • /usr/share/gromacs/html/online/xtc.html
    • /usr/share/gromacs/html/online/xvg.html
    • /usr/share/gromacs/html/online/yourown.html
    • /usr/share/gromacs/template/CMakeLists.txt
    • /usr/share/gromacs/template/Makefile.pkg
    • /usr/share/gromacs/template/README
    • /usr/share/gromacs/template/template.c
    • /usr/share/gromacs/template/cmake/FindGROMACS.cmake
    • /usr/share/gromacs/top/atom_nom.tbl
    • /usr/share/gromacs/top/atommass.dat
    • /usr/share/gromacs/top/bonds.dlg
    • /usr/share/gromacs/top/bromacs.dat
    • /usr/share/gromacs/top/ca-shift.dat
    • /usr/share/gromacs/top/cb-shift.dat
    • /usr/share/gromacs/top/co-shift.dat
    • /usr/share/gromacs/top/defselection.dat
    • /usr/share/gromacs/top/dgsolv.dat
    • /usr/share/gromacs/top/edissoc.dat
    • /usr/share/gromacs/top/electroneg.dat
    • /usr/share/gromacs/top/elements.dat
    • /usr/share/gromacs/top/export.dlg
    • /usr/share/gromacs/top/ffG43a1.itp
    • /usr/share/gromacs/top/ffG43a2.itp
    • /usr/share/gromacs/top/ffG45a3.itp
    • /usr/share/gromacs/top/ffG53a5.itp
    • /usr/share/gromacs/top/ffG53a6.itp
    • /usr/share/gromacs/top/ffencads.itp
    • /usr/share/gromacs/top/ffencadv.itp
    • /usr/share/gromacs/top/ffgmx.itp
    • /usr/share/gromacs/top/ffgmx2.itp
    • /usr/share/gromacs/top/ffoplsaa-n.tst
    • /usr/share/gromacs/top/ffoplsaa.itp
    • /usr/share/gromacs/top/flexspc.itp
    • /usr/share/gromacs/top/flexspce.itp
    • /usr/share/gromacs/top/flexwat-ferguson.itp
    • /usr/share/gromacs/top/gurgle.dat
    • /usr/share/gromacs/top/ha-shift.dat
    • /usr/share/gromacs/top/highway.dat
    • /usr/share/gromacs/top/ions.itp
    • /usr/share/gromacs/top/links.dat
    • /usr/share/gromacs/top/nsfactor.dat
    • /usr/share/gromacs/top/phbres.dat
    • /usr/share/gromacs/top/ps.m2p
    • /usr/share/gromacs/top/random.dat
    • /usr/share/gromacs/top/refi_aa.dat
    • /usr/share/gromacs/top/residues.dtd
    • /usr/share/gromacs/top/residues.xml
    • /usr/share/gromacs/top/residuetypes.dat
    • /usr/share/gromacs/top/sfactor.dat
    • /usr/share/gromacs/top/spc.itp
    • /usr/share/gromacs/top/spc216.gro
    • /usr/share/gromacs/top/spce.itp
    • /usr/share/gromacs/top/specbond.dat
    • /usr/share/gromacs/top/ss.map
    • /usr/share/gromacs/top/surface.dat
    • /usr/share/gromacs/top/sw.itp
    • /usr/share/gromacs/top/table6-10.xvg
    • /usr/share/gromacs/top/table6-11.xvg
    • /usr/share/gromacs/top/table6-12.xvg
    • /usr/share/gromacs/top/table6-8.xvg
    • /usr/share/gromacs/top/table6-9.xvg
    • /usr/share/gromacs/top/tip3p.itp
    • /usr/share/gromacs/top/tip4p.gro
    • /usr/share/gromacs/top/tip4p.itp
    • /usr/share/gromacs/top/tip5p.gro
    • /usr/share/gromacs/top/vdw-msms.dat
    • /usr/share/gromacs/top/vdwradii.dat
    • /usr/share/gromacs/top/xlateat.dat
    • /usr/share/gromacs/top/amber03.ff/aminoacids.arn
    • /usr/share/gromacs/top/amber03.ff/aminoacids.c.tdb
    • /usr/share/gromacs/top/amber03.ff/aminoacids.hdb
    • /usr/share/gromacs/top/amber03.ff/aminoacids.n.tdb
    • /usr/share/gromacs/top/amber03.ff/aminoacids.r2b
    • /usr/share/gromacs/top/amber03.ff/aminoacids.rtp
    • /usr/share/gromacs/top/amber03.ff/aminoacids.vsd
    • /usr/share/gromacs/top/amber03.ff/atomtypes.atp
    • /usr/share/gromacs/top/amber03.ff/dna.arn
    • /usr/share/gromacs/top/amber03.ff/dna.hdb
    • /usr/share/gromacs/top/amber03.ff/dna.r2b
    • /usr/share/gromacs/top/amber03.ff/dna.rtp
    • /usr/share/gromacs/top/amber03.ff/ffbonded.itp
    • /usr/share/gromacs/top/amber03.ff/ffnonbonded.itp
    • /usr/share/gromacs/top/amber03.ff/forcefield.doc
    • /usr/share/gromacs/top/amber03.ff/forcefield.itp
    • /usr/share/gromacs/top/amber03.ff/gbsa.itp
    • /usr/share/gromacs/top/amber03.ff/ions.itp
    • /usr/share/gromacs/top/amber03.ff/rna.arn
    • /usr/share/gromacs/top/amber03.ff/rna.hdb
    • /usr/share/gromacs/top/amber03.ff/rna.r2b
    • /usr/share/gromacs/top/amber03.ff/rna.rtp
    • /usr/share/gromacs/top/amber03.ff/spc.itp
    • /usr/share/gromacs/top/amber03.ff/spce.itp
    • /usr/share/gromacs/top/amber03.ff/tip3p.itp
    • /usr/share/gromacs/top/amber03.ff/tip4p.itp
    • /usr/share/gromacs/top/amber03.ff/tip4pew.itp
    • /usr/share/gromacs/top/amber03.ff/tip5p.itp
    • /usr/share/gromacs/top/amber03.ff/urea.itp
    • /usr/share/gromacs/top/amber03.ff/watermodels.dat
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    Changelog

    2016-02-02 - umeabot <umeabot> 4.6.6-4.mga6 + Revision: 932570 - Mageia 6 Mass Rebuild

    2014-10-15 - umeabot <umeabot> 4.6.6-3.mga5 + Revision: 747979 - Second Mageia 5 Mass Rebuild

    2014-09-16 - umeabot <umeabot> 4.6.6-2.mga5 + Revision: 679947 - Mageia 5 Mass Rebuild

    2014-08-24 - akien <akien> 4.6.6-1.mga5 + Revision: 667108 - Version 4.6.6

    2013-10-19 - umeabot <umeabot> 4.6.3-2.mga4 + Revision: 529944 - Mageia 4 Mass Rebuild

    2013-07-14 - sander85 <sander85> 4.6.3-1.mga4 + Revision: 454199 - New version: 4.6.3

    2013-06-02 - tv <tv> 4.6.2-2.mga4 + Revision: 435231 - fix description

    2013-06-02 - sander85 <sander85> 4.6.2-1.mga4 + Revision: 434440 - New version: 4.6.2

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