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Keyword category:

Annealing

PREF

PREF — Define the energy window penalty coefficient.

Usage

PREF=n.n

Description

The range for the energy window penalty is set by FREF and SREF. For conformations with energies outside of this window, a quadratic penalty is applied. The coefficient for this penalty is specified by PREF. The default value is 10% of the initial temperature. This can be used with GANNEAL, TSANNEAL, and MANNEAL but not ANNEAL.

Abbreviation:

none

Requires:

GANNEAL, TSANNEAL, or MANNEAL

Required by:

none

Default value:

10% of initial temperature

See also:

FREF, SREF.
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