Name

CHARGE — Define the charge on the system (e.g. NH4+, CHARGE=1).

Synopsis

 CHARGE=n
 CHARGE=-n

Description

The charge on a system can be defined using CHARGE=n. Note that if a sparkle is used, the charge keyword must be invoked to account for the charge on the sparkle. For example, to define of the charge on the phosphate ion, (PO4)3-, enter CHARGE=-3 in the keyword line.

Abbreviation:

none

Requires:

none

Default value:

none