Creating a Bulk Water Model (GUI)

Bulk (periodic) systems are the staple diet of the molecular dynamicist, particularly systems that are isotropic. This example illustrates how to generate a simple bulk configuration of liquid water.

Make a Water Molecule

We need a water molecule. We could load one in, but its marginally more interesting to build one from scratch. So, we’ll place an oxygen atom down somewhere and automatically add hydrogens to it.

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Main Toolbar Create a new, empty model (if you don’t have one already) with file_new window_build In the Build Window change the active element to oxygen on the Edit page by clicking build_o Select the draw single atoms tool build_atom and click once somewhere in the empty model to draw an oxygen atom Add hydrogens to the model by clicking build_addhAddH Model