selection selection
real real real real
is an atom-based version of the NBFIx statement that
adds a Lennard-Jones parameter set for the selected pairs of atoms
to the atom-based parameters. The definition of the
reals is identical to the type-based NBFIx statement.
Appropriate atom-based
NONB statements have to be specified for both atom
selections
before invoking this statement, e.g.,
NONB ( chemical C* ) 0.12 3.74 0.12 3.74
NONB ( chemical N* ) 0.24 2.85 0.24 2.85
NBFIx ( chemical C* ) ( chemical N* ) 10. 1000. 10. 1000.
Note that
the TOKEn keyword is not allowed for the reals.