MINI
When very large molecules such as enzymes are modeled, the output can become
very large. To reduce this, use MINI. When MINI is present,
only atoms whose coordinates are flagged with a "1" will be printed.
Because the flag "1" is used in deciding which atoms to print, the old
optimization flag "1" should be replaced by a "2". For example, if a
transition state optimization calculation is run, then the atoms involved would
be flagged with optimization symbol "2", and all the nearby atoms flagged with a
"1". More distant atoms would be flagged with "0".When this system is
run, only atoms flagged with "1" or "2" will be printed, and only atoms flagged
with a "2" will be moved during the transition state optimization.
MINI is useful in following reaction paths, IRC,
and DRC trajectories.
This is a new keyword. Please send a note of any anomalous behavior.