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richardjgowers/PDB_multiple.ipynb

Created March 27, 2017 17:24
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Multiply out a single PDB file using MDAnalysis (similar to editconf in Gromacs)
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PDB_multiple.ipynb
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@tylerjereddy
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Why have the merged universe vectors doubled instead of tripled? Along the x axis for example are you not tiling before and after the primary cell to have L (before) + L (primary unit cell) + L (after) total length--around 75 instead of 51?

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