7.4 Cluster calculation. | ![]() |
Selecting Calculate -> Cluster from the main menu, you can solvate your molecule with any type of solvent. The list of solvent is dinamically created, readind the VEGA\Data\Clusters directory and can be refreshed closing and reopening the dialog window. Click here for more information about the cluster file format.
You can select the type of solvent, the shape (box, sphere and layer) and you can put the side or the radius or the thickness of the solvent in Amstrong. Just click Ok to calculate the cluster, or Cancel to close the dialog.
Water box (side = 20 Å)
Water sphere (radius = 10 Å)
Water layer (thickness = 4 Å)