[ol8_developer_EPEL] gromacs-devel-2019.6-2.el8.aarch64

GROMACS is a versatile and extremely well optimized package to perform
molecular dynamics computer simulations and subsequent trajectory analysis.
It is developed for bio-molecules 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 contains header files and development libraries for the GROMACS
molecular dynamics software. You need it if you want to write your own analysis
programs.

Filelist (Show Changelog) (Show related packages)

• /

  • usr

    • include

      • gromacs

        • analysisdata

          • abstractdata.h

          • analysisdata.h

          • arraydata.h

          • dataframe.h

          • datamodule.h

          • modules

            • average.h

            • displacement.h

            • histogram.h

            • lifetime.h

            • plot.h

        • analysisdata.h

        • commandline

          • cmdlinehelpwriter.h

          • cmdlineinit.h

          • cmdlinemodule.h

          • cmdlineoptionsmodule.h

          • cmdlineparser.h

          • cmdlineprogramcontext.h

          • filenm.h

          • pargs.h

          • viewit.h

        • commandline.h

        • compat

          • make_unique.h

        • fft

          • fft.h

        • fileio

          • confio.h

          • enxio.h

          • filetypes.h

          • gmxfio.h

          • matio.h

          • mtxio.h

          • oenv.h

          • pdbio.h

          • rgb.h

          • tpxio.h

          • trrio.h

          • trxio.h

          • xdr_datatype.h

          • xtcio.h

          • xvgr.h

        • gmxana

          • gstat.h

        • gpu_utils

          • hostallocator.h

        • linearalgebra

          • eigensolver.h

          • matrix.h

          • sparsematrix.h

        • math

          • 3dtransforms.h

          • arrayrefwithpadding.h

          • do_fit.h

          • functions.h

          • gmxcomplex.h

          • paddedvector.h

          • units.h

          • utilities.h

          • vec.h

          • vectypes.h

        • mdlib

          • simulationsignal.h

        • mdtypes

          • inputrec.h

          • md_enums.h

          • mdatom.h

          • state.h

        • options

          • abstractoption.h

          • abstractsection.h

          • basicoptions.h

          • filenameoption.h

          • filenameoptionmanager.h

          • ioptionsbehavior.h

          • ioptionscontainer.h

          • ioptionscontainerwithsections.h

          • isectionstorage.h

          • ivaluestore.h

          • optionfiletype.h

          • optionflags.h

          • options.h

          • optionsection.h

          • repeatingsection.h

          • timeunitmanager.h

          • valuestore.h

        • options.h

        • pbcutil

          • ishift.h

          • pbc.h

          • rmpbc.h

        • random

          • exponentialdistribution.h

          • gammadistribution.h

          • normaldistribution.h

          • seed.h

          • tabulatednormaldistribution.h

          • threefry.h

          • uniformintdistribution.h

          • uniformrealdistribution.h

        • random.h

        • restraint

          • restraintpotential.h

        • selection

          • indexutil.h

          • nbsearch.h

          • position.h

          • selection.h

          • selectioncollection.h

          • selectionenums.h

          • selectionoption.h

          • selectionoptionbehavior.h

          • selectionoptionmanager.h

        • selection.h

        • timing

          • wallcycle.h

          • walltime_accounting.h

        • topology

          • atomprop.h

          • atoms.h

          • block.h

          • forcefieldparameters.h

          • idef.h

          • ifunc.h

          • index.h

          • mtop_util.h

          • symtab.h

          • topology.h

        • trajectory

          • energyframe.h

          • trajectoryframe.h

        • trajectoryanalysis

          • analysismodule.h

          • analysissettings.h

          • cmdlinerunner.h

          • topologyinformation.h

        • trajectoryanalysis.h

        • utility

          • alignedallocator.h

          • allocator.h

          • arrayref.h

          • arraysize.h

          • basedefinitions.h

          • baseversion.h

          • classhelpers.h

          • cstringutil.h

          • current_function.h

          • datafilefinder.h

          • errorcodes.h

          • exceptions.h

          • fatalerror.h

          • fileptr.h

          • flags.h

          • futil.h

          • gmxassert.h

          • init.h

          • programcontext.h

          • real.h

          • smalloc.h

          • stringutil.h

          • unique_cptr.h

        • utility.h

        • version.h

    • lib64

      • libgromacs.so

      • libgromacs_d.so

      • pkgconfig

        • libgromacs.pc

        • libgromacs_d.pc

    • share

      • cmake

        • gromacs

          • gromacs-config-version.cmake

          • gromacs-config.cmake

          • libgromacs-release.cmake

          • libgromacs.cmake

        • gromacs_d

          • gromacs_d-config-version.cmake

          • gromacs_d-config.cmake

          • libgromacs-release.cmake

          • libgromacs.cmake

      • gromacs

        • template

          • CMakeLists.txt

          • Makefile.pkg

          • README

          • cmake

            • FindGROMACS.cmake

          • template.cpp