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Merge pull request #99 from mnink275/readme_fix
Update README.md
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examples/all_atom/force_field_OPLSAA/waterTIP5P+ethanol/README.md

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TIP5P water, ethanol mixture
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This example of a mixture of rigid TIP5P water with an ordinary (flexible) molecule (ethanol) was contributed by Cheng Chen (Queen Mary University) on 2018-8-02. The ethanol molecules use the OPLSAA force-field, but the water molecules do not. The water molecules were initially arranged in a rectangular lattice. The methane molecules were also arranged in a lattice, and were shifted to avoid overlap with the water molecules. *(Alternatively, you can create a single lattice and specify the number of water and methane molecules you want in it using moltemplate's "new random([],[])" command, which is explained in [the manual](https://moltemplate.org/doc/moltemplate_manual.pdf#subsubsection.8.9.1). This gives you more control over the concentration of each ingredient. You can also use PACKMOL to create random mixtures of molecules.)*
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This example of a mixture of rigid TIP5P water with an ordinary (flexible) molecule (ethanol) was contributed by Cheng Chen (Queen Mary University) on 2018-8-02. The ethanol molecules use the OPLSAA force-field, but the water molecules do not. The water molecules were initially arranged in a rectangular lattice. The ethanol molecules were also arranged in a lattice, and were shifted to avoid overlap with the water molecules. *(Alternatively, you can create a single lattice and specify the number of water and ethanol molecules you want in it using moltemplate's "new random([],[])" command, which is explained in [the manual](https://moltemplate.org/doc/moltemplate_manual.pdf#subsubsection.8.9.1). This gives you more control over the concentration of each ingredient. You can also use PACKMOL to create random mixtures of molecules.)*
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The "fix rigid" command (or "fix rigid/nph/small") was used to integrate the equations of motion for the TIP5P molecule. A combination of "fix nve" and "fix langevin" was used to integrate the equations of motion for the flexible ethanol molecule.
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