"Fossies" - the Fresh Open Source Software Archive

Contents of gromacs-2023.tar.gz (6 Feb 19:24, 41863526 Bytes)

About: GROMACS performs molecular dynamics, i.e. simulates the Newtonian equations of motion for systems with hundreds to millions of particles (designed for biochemical molecules but used also for e.g. polymers).
Release of 2020 series.

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Fossies downloads: / linux / privat / gromacs-2023.tar.gz  (tar.bz2|tar.xz|zip)
Fossies services: Doxygen documentation | Diffs report | CLOC analysis | Meta information
Original URL: https://ftp.gromacs.org / pub / gromacs / gromacs-2023.tar.gz
Home page: https://www.gromacs.org/
VirusTotal check: Ok
Member paths+URLs:  Shortened | full
Member sort order:  docs related (infos|docs|other) | original | size (top100) | date | path | name | ext | top-path files 

Basic infos (README, FAQ, INSTALL, ChangeLog, ...):
    1615 2023-02-06 19:21 AUTHORS
   51974 2023-02-06 19:21 COPYING
   70937 2023-02-06 19:23 INSTALL
    4712 2023-02-06 19:21 README
     678 2023-02-06 19:21 admin/InstallInfo.txt
     204 2023-02-06 19:21 admin/InstallWelcome.txt
   13084 2023-02-06 19:21 share/README_FreeEnergyModifications.txt
    4020 2023-02-06 19:21 python_packaging/README.md
      62 2023-02-06 19:21 share/README.tutor
      89 2023-02-06 19:21 docs/gmxapi/changelog.rst
   15864 2023-02-06 19:21 docs/dev-manual/change-management.rst
   11821 2023-02-06 19:21 docs/user-guide/faq.rst
    4651 2023-02-06 19:21 docs/release-notes/index.rst
   21866 2023-02-06 19:21 docs/reference-manual/introduction.rst
   12274 2023-02-06 19:21 docs/dev-manual/overview.rst
    1408 2023-02-06 19:21 share/template/README.cmakein
    1032 2023-02-06 19:21 docs/gmxapi/README.md
   14320 2023-02-06 19:21 python_packaging/sample_restraint/README.md
    5054 2023-02-06 19:21 python_packaging/docker/README.md
     567 2023-02-06 19:21 python_packaging/scripts/README.md
     498 2023-02-06 19:21 python_packaging/gmxapi/README.rst
     474 2023-02-06 19:21 docs/manual/README
      84 2023-02-06 19:21 share/top/README
   10290 2023-02-06 19:21 docs/dev-manual/relocatable-binaries.rst


Basic docs (manual pages, PDF-,HTML-,/doc/-files, ...):
   36943 2023-02-06 19:21 docs/CMakeLists.txt
    4841 2023-02-06 19:21 docs/docs.dockerfile
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     447 2023-02-06 19:21 docs/texindex.rst
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   26335 2023-02-06 19:21 docs/dev-manual/build-system.rst
    3893 2023-02-06 19:21 python_packaging/docker/ci.dockerfile
   11480 2023-02-06 19:21 docs/doxygen/CMakeLists.txt
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    4962 2023-02-06 19:21 api/docs/CMakeLists.txt
   15287 2023-02-06 19:21 docs/user-guide/cmdline.rst
   15341 2023-02-06 19:21 docs/dev-manual/code-formatting.rst
    2358 2023-02-06 19:21 docs/dev-manual/commitstyle.rst
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    7526 2023-02-06 19:21 docs/user-guide/getting-started.rst
   16953 2023-02-06 19:21 docs/dev-manual/gitlab-ci.rst
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    1132 2023-02-06 19:21 python_packaging/docker/gromacs-dependencies.dockerfile
    1778 2023-02-06 19:21 python_packaging/docker/gromacs.dockerfile
   16254 2023-02-06 19:21 docs/nblib/guide-to-writing-MD-programs.rst
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    3716 2023-02-06 19:21 docs/dev-manual/includestyle.rst
    1075 2023-02-06 19:21 docs/user-guide/index.rst
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    1255 2023-02-06 19:21 docs/gmxapi/index.rst
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   74303 2023-02-06 19:21 docs/install-guide/index.rst
     948 2023-02-06 19:21 docs/api/index.rst
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     703 2023-02-06 19:21 docs/user-guide/security.rst
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First 50 (from 7393) other files:
    7547 2023-02-06 19:21 src/gromacs/listed_forces/tests/refdata/14Interaction_ListedForcesPairsTest_Ifunc_0.xml
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    1259 2023-02-06 19:21 src/gromacs/listed_forces/tests/refdata/14Interaction_ListedForcesPairsTest_Ifunc_3.xml
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    1308 2023-02-06 19:21 src/gromacs/listed_forces/tests/refdata/14Interaction_ListedForcesPairsTest_Ifunc_5.xml
    1261 2023-02-06 19:21 src/gromacs/listed_forces/tests/refdata/14Interaction_ListedForcesPairsTest_Ifunc_6.xml
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    1255 2023-02-06 19:21 src/gromacs/listed_forces/tests/refdata/14Interaction_ListedForcesPairsTest_Ifunc_9.xml
   57780 2023-02-06 19:21 src/gromacs/trajectoryanalysis/tests/1cos.pdb
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    2012 2023-02-06 19:21 share/top/oplsaa.ff/1propanol.itp
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A hint: In order to limit the size of this page, in total 7343 archive member files not "information" or "documentation" related - are omitted here. But all those files can be found in the complete docs-related index file or in the originally, by date, by pathname, by filename or by file extension sorted index files (roughly file size each: 2.2 MB !). 
   MD5 (gromacs-2023.tar.gz): f0b2b000c2bf2505f7d6eee0c432bd95
  SHA1 (gromacs-2023.tar.gz): dd9d7a0e80c5d4c3e4b45b7c99e99d3ad548506a
SHA256 (gromacs-2023.tar.gz): ac92c6da72fbbcca414fd8a8d979e56ecf17c4c1cdabed2da5cfb4e7277b7ba8
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