Commit 315fb52b authored by Jamie Hall's avatar Jamie Hall
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First import

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Constructing a DNA strand with a ligand
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.. literalinclude:: ../../../Examples/DNA/construction.py
:language: python
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An electric field term (Python part)
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.. literalinclude:: ../../../../../Examples/Forcefield/ElectricField/Cython/ElectricField.py
:language: python
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An electric field term (Cython part)
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.. literalinclude:: ../../../../../Examples/Forcefield/ElectricField/Cython/MMTK_electric_field.pyx
:language: cython
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An electric field term implemented in pure Python
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.. literalinclude:: ../../../../../Examples/Forcefield/ElectricField/Python/ElectricField.py
:language: python
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An efficient harmonic oscillator term (Python part)
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.. literalinclude:: ../../../../../Examples/Forcefield/HarmonicOscillator/Cython/HarmonicOscillatorFF.py
:language: python
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An efficient harmonic oscillator term (Cython part)
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.. literalinclude:: ../../../../../Examples/Forcefield/HarmonicOscillator/Cython/MMTK_harmonic_oscillator.pyx
:language: cython
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A harmonic oscillator term in pure Python
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.. literalinclude:: ../../../../../Examples/Forcefield/HarmonicOscillator/Python/HarmonicOscillatorFF.py
:language: python
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An integrator for Langevin dynamics (Python part)
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.. literalinclude:: ../../../Examples/LangevinDynamics/LangevinDynamics.py
:language: python
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An integrator for Langevin dynamics (C part)
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.. literalinclude:: ../../../Examples/LangevinDynamics/MMTK_langevin.c
:language: c
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A simple Velocity Verlet integrator
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.. literalinclude:: ../../../Examples/MDIntegrator/VelocityVerlet.pyx
:language: cython
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Protein solvation in parallel
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.. literalinclude:: ../../../Examples/MPI/md.py
:language: python
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Fitting point charges to an electrostatic potential surface
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.. literalinclude:: ../../../Examples/Miscellaneous/charge_fit.py
:language: python
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Building a complete universe from a PDB file
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.. literalinclude:: ../../../Examples/Miscellaneous/construct_from_pdb.py
:language: python
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Place molecules on a lattice
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.. literalinclude:: ../../../Examples/Miscellaneous/lattice.py
:language: python
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Vector fields for analysis and visualization of collective motions
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.. literalinclude:: ../../../Examples/Miscellaneous/vector_field.py
:language: python
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Simulation of liquid argon
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.. literalinclude:: ../../../Examples/MolecularDynamics/argon.py
:language: python
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Simulation of a protein
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.. literalinclude:: ../../../Examples/MolecularDynamics/protein.py
:language: python
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Restarting the protein simulation
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.. literalinclude:: ../../../Examples/MolecularDynamics/restart.py
:language: python
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Solvation of a protein in water
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.. literalinclude:: ../../../Examples/MolecularDynamics/solvation.py
:language: python
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