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[Source: votca-csg]

Package: votca-csg-tutorials (1.6.4-bp156.3.9)

Tutorial documentation for VOTCA Coarse Graining Engine

Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package to reduce the amount of routine work when doing systematic coarse-graining of various systems. The core is written in C++. This package contains the tutorial documentation and sample data.

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Caminhos de arquivo do pacote (575)

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  • /usr/share/doc/packages/votca-csg/examples
  • /usr/share/doc/packages/votca-csg/examples/CMakeLists.txt
  • /usr/share/doc/packages/votca-csg/examples/CMakeModules
  • /usr/share/doc/packages/votca-csg/examples/CMakeModules/cmake_uninstall.cmake.in
  • /usr/share/doc/packages/votca-csg/examples/CMakeModules/FileExists.cmake
  • /usr/share/doc/packages/votca-csg/examples/CMakeModules/FindCMA.cmake
  • /usr/share/doc/packages/votca-csg/examples/CMakeModules/FindESPRESSO.cmake
  • /usr/share/doc/packages/votca-csg/examples/CMakeModules/FindLMP.cmake
  • /usr/share/doc/packages/votca-csg/examples/CMakeModules/FindMDRUN_MPI.cmake
  • /usr/share/doc/packages/votca-csg/examples/guide
  • /usr/share/doc/packages/votca-csg/examples/guide/README.md
  • /usr/share/doc/packages/votca-csg/examples/hexane
  • /usr/share/doc/packages/votca-csg/examples/hexane/atomistic
  • /usr/share/doc/packages/votca-csg/examples/hexane/atomistic/boltzmann_cmds
  • /usr/share/doc/packages/votca-csg/examples/hexane/atomistic/conf.gro
  • /usr/share/doc/packages/votca-csg/examples/hexane/atomistic/Extract_Energies.sh
  • /usr/share/doc/packages/votca-csg/examples/hexane/atomistic/grompp.mdp
  • /usr/share/doc/packages/votca-csg/examples/hexane/atomistic/hexane.xml
  • /usr/share/doc/packages/votca-csg/examples/hexane/atomistic/run_Boltzmann.sh
  • /usr/share/doc/packages/votca-csg/examples/hexane/atomistic/run.sh
  • /usr/share/doc/packages/votca-csg/examples/hexane/atomistic/settings.xml
  • /usr/share/doc/packages/votca-csg/examples/hexane/atomistic/topol.top
  • /usr/share/doc/packages/votca-csg/examples/hexane/force_matching
  • /usr/share/doc/packages/votca-csg/examples/hexane/force_matching/fmatch.xml
  • /usr/share/doc/packages/votca-csg/examples/hexane/force_matching/hexane.xml
  • /usr/share/doc/packages/votca-csg/examples/hexane/force_matching/run.sh
  • /usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching
  • /usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/Extract_Energies.sh
  • /usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/fmatch.xml
  • /usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/hexane.xml
  • /usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/README
  • /usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/run.sh
  • /usr/share/doc/packages/votca-csg/examples/hexane/hybrid_force_matching/topol.top
  • /usr/share/doc/packages/votca-csg/examples/hexane/ibi_all
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  • /usr/share/doc/packages/votca-csg/examples/hexane/ibi_all/Extract_Energies.sh
  • /usr/share/doc/packages/votca-csg/examples/hexane/ibi_all/grompp.mdp
  • /usr/share/doc/packages/votca-csg/examples/hexane/ibi_all/hexane_cg.xml
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  • /usr/share/doc/packages/votca-csg/examples/hexane/ibi_nonbonded
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  • /usr/share/doc/packages/votca-csg/examples/hexane/ibi_nonbonded/grompp.mdp
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  • /usr/share/doc/packages/votca-csg/examples/hexane/ibi_nonbonded/run_Boltzmann.sh
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  • /usr/share/doc/packages/votca-csg/examples/LJ1-LJ2
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  • /usr/share/doc/packages/votca-csg/examples/LJ1-LJ2/imc/topol.top
  • /usr/share/doc/packages/votca-csg/examples/methanol
  • /usr/share/doc/packages/votca-csg/examples/methanol/atomistic
  • /usr/share/doc/packages/votca-csg/examples/methanol/atomistic/conf.gro
  • /usr/share/doc/packages/votca-csg/examples/methanol/atomistic/Extract_Energies.sh
  • /usr/share/doc/packages/votca-csg/examples/methanol/atomistic/grompp.mdp
  • /usr/share/doc/packages/votca-csg/examples/methanol/atomistic/methanol_opls.itp
  • /usr/share/doc/packages/votca-csg/examples/methanol/atomistic/methanol.xml
  • /usr/share/doc/packages/votca-csg/examples/methanol/atomistic/run.sh
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  • /usr/share/doc/packages/votca-csg/examples/methanol/atomistic/topol.top
  • /usr/share/doc/packages/votca-csg/examples/methanol/force_matching
  • /usr/share/doc/packages/votca-csg/examples/methanol/force_matching/fmatch.xml
  • /usr/share/doc/packages/votca-csg/examples/methanol/force_matching/methanol.xml
  • /usr/share/doc/packages/votca-csg/examples/methanol/force_matching/run.sh
  • /usr/share/doc/packages/votca-csg/examples/methanol/ibi
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  • /usr/share/doc/packages/votca-csg/examples/methanol/ibi/run.sh
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  • /usr/share/doc/packages/votca-csg/examples/methanol/ibi/table.xvg
  • /usr/share/doc/packages/votca-csg/examples/methanol/ibi/topol.top
  • /usr/share/doc/packages/votca-csg/examples/methanol/imc
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  • /usr/share/doc/packages/votca-csg/examples/methanol/imc/Extract_Energies.sh
  • /usr/share/doc/packages/votca-csg/examples/methanol/imc_gromacs-remd
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  • /usr/share/doc/packages/votca-csg/examples/methanol/imc_gromacs-remd/Extract_Energies.sh
  • /usr/share/doc/packages/votca-csg/examples/methanol/imc_gromacs-remd/grompp0.mdp
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  • /usr/share/doc/packages/votca-csg/examples/methanol/imc_gromacs-remd/rdf_methanol.xvg
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  • /usr/share/doc/packages/votca-csg/examples/methanol-water
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