Clean Controls Preferences

The items on the Clean Controls dialog (see Figure 72) allow you to set the program default values for the clean force field. The default clean settings attempt to achieve a balance that produces expected "normal" results. Altering the settings in Clean Controls preferences can cause unexpected and undesirable results, so please read the following sections carefully before making any changes.

It is important to remember that the various components of the clean force field are relative. Changing one weight will affect the behavior of the other weights. For example, excessive non-bond weight will produce longer bonds. Similarly, an excessive hard angle weight could affect the 2-center dihedrals.

You can disable any set of terms by assigning a weight of 0.0. For example, disabling the 1-center dihedral term can result in faster cleaning, but the resulting tertiary structure may not be as nice. Do not disable the bond weight or hard angle terms. The former should be kept high relative to the other terms.

Figure 72. Preferences for the GaussView Clean Function
The items in this dialog allow you to customize the behavior for GaussView structure cleanup.

The following controls are available in the dialog. The fields in the Rel. Weights column are

The checkboxes at the bottom of the window have the following effects

The fields in the Opt. Controls column are:

Performance Tips

If the clean function is too slow on your system, try these settings

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