Name

MAXQUE — Size of queue to store candidates in simulated annealing calculation.

Synopsis

 MAXQUE=n 

Description

By default annealing calcuation allow a buffer of 250 candidates for quenching. This is fine for most small jobs but may not be large enough for large molecues with many degrees of freedom. This keyword can be used to increase the size of this queue to n.

Abbreviation:

none

Requires:

ANNEAL, GANNEAL, TSANNEAL, or MANNEAL.

Default value:

250