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Keyword category:

Electrostatic Potential

WILLIAMS

WILLIAMS — Specify surface generation procedure of Donald Williams.

Usage

WILLIAMS

Description

The surface generation procedure of Donald Williams[38] is included in the program as an alternative to the Connolly surface. The Williams procedure is limited in the types of atoms which can be present in the system compared to the Connolly procedure. Its use is enabled via the keyword WILLIAMS.

Abbreviation:

none

Requires:

ESP

Required by:

none

Implied by:

none

Default value:

none

See also:

ESP, CONNOLLY.

[38]   D.E. Williams. J. Comput. Chem. 1988, 9, 745.

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