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Article ID: 265 - Last Modified:

What force field is used for geometry-like calculations and analysis (e.g., molecular surfaces, vdW parameters) in Maestro? Can the parameters be modified?

No force field is used for these features. The van der Waals radii used by some features (e.g., molecular surface and CPK representation) are stored at

$SCHRODINGER/mmshare-vversion/data/atom.typ

If you place a modified copy of this file in your current working directory, a newly-started Maestro session will use those parameters. Also, some aspects of these features can be controlled via Maestro commands/settings. See the Maestro Command Reference Manual (e.g., the 'surface*' commands) for more information.

Keywords: force field, vdW radii, surface, parameters, Maestro

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