QSite — Frozen Atoms Panel
The Frozen Atoms panel is used to specify a set of atoms to be frozen during a QSite calculation.
To open this panel, click Frozen Atoms in the MM Constraints tab of the QSite panel.
- Features
- Additional Resources
Frozen Atoms Panel Features
- Frozen atoms list
- Define frozen atoms picking controls
- Markers option
- Delete button
- Delete All button
- Frozen atoms list
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The upper portion of the panel is a text area that lists the atom number of each atom that has been selected to be frozen. The currently selected atom is highlighted.
- Define frozen atoms picking controls
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In this section you can specify atoms to be frozen using the standard picking controls.
- Markers
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This option is selected by default. The atoms to be frozen are marked with a red cross and a "padlock" icon in the Workspace display. The marker for the currently selected atom is colored turquoise. To hide the markers, deselect the option.
- Delete
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Click this button to remove the currently selected frozen atom from the frozen atoms list.
- Delete All
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Click this button to remove all currently defined frozen atoms from the frozen atoms list.