Keyword category:

Population Analysis

ESP

ESP — Invokes the electrostatic potential method for charge calculation.

Usage

ESP

Description

This keyword activates access to the Electrostatic Potential (ESP) charge calculation algorithm contributed by K.D. Merz and B.H. Besler. See Chapter 9, Electrostatic Potential for a more complete description of the ESP methods and the dedicated keywords that it uses.

Abbreviation:

none

Requires:

none

Required by:

none

Default value:

none