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- .gitignore 1 addition, 0 deletions.gitignore
- CMakeLists.txt 19 additions, 4 deletionsCMakeLists.txt
- build_configs/buildconfig_bc2 6 additions, 7 deletionsbuild_configs/buildconfig_bc2
- build_configs/buildconfig_bc2_static 6 additions, 7 deletionsbuild_configs/buildconfig_bc2_static
- build_configs/darwin_homebrew.txt 1 addition, 1 deletionbuild_configs/darwin_homebrew.txt
- build_configs/win32 1 addition, 1 deletionbuild_configs/win32
- cmake_support/FindEigen.cmake 8 additions, 9 deletionscmake_support/FindEigen.cmake
- cmake_support/FindOpenMM.cmake 43 additions, 0 deletionscmake_support/FindOpenMM.cmake
- examples/code_fragments/mm/1CRN.pdb 329 additions, 0 deletionsexamples/code_fragments/mm/1CRN.pdb
- examples/code_fragments/mm/ethanol.pdb 10 additions, 0 deletionsexamples/code_fragments/mm/ethanol.pdb
- examples/code_fragments/mm/ethanol_example.py 207 additions, 0 deletionsexamples/code_fragments/mm/ethanol_example.py
- examples/code_fragments/mm/ethanol_example_using_topology.py 166 additions, 0 deletionsexamples/code_fragments/mm/ethanol_example_using_topology.py
- examples/code_fragments/mm/gb_example.py 52 additions, 0 deletionsexamples/code_fragments/mm/gb_example.py
- examples/code_fragments/mm/gb_example_traj.dcd 0 additions, 0 deletionsexamples/code_fragments/mm/gb_example_traj.dcd
- examples/code_fragments/mm/gb_example_traj.pdb 643 additions, 0 deletionsexamples/code_fragments/mm/gb_example_traj.pdb
- examples/code_fragments/mm/gb_example_view_trajectory.py 16 additions, 0 deletionsexamples/code_fragments/mm/gb_example_view_trajectory.py
- examples/code_fragments/mm/gb_example_writing_trajectory.py 42 additions, 0 deletionsexamples/code_fragments/mm/gb_example_writing_trajectory.py
- modules/bindings/doc/bindings.rst 1 addition, 0 deletionsmodules/bindings/doc/bindings.rst
- modules/bindings/doc/hhblits.rst 128 additions, 0 deletionsmodules/bindings/doc/hhblits.rst
- modules/bindings/pymod/CMakeLists.txt 1 addition, 0 deletionsmodules/bindings/pymod/CMakeLists.txt
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