Keyword category:

Annealing

SREF

SREF — Specify half-width of the searched energy range.

Usage

SREF=n.n

Description

This variable specifies the half-width of the searched energy range defined by FREF. The default value is 100 kcal/mol. This can be used with GANNEAL, TSANNEAL, and MANNEAL but not ANNEAL.

Abbreviation:

none

Requires:

GANNEAL, TSANNEAL, or MANNEAL

Required by:

none

Default value:

100 kcal/mol

See also:

FREF, PREF.