Appendix G. Table of multi-atom probes
The following Symbols may be included in the Directives list
for Programme GRID, in order to define a multi-atom Probe. The
corresponding properties of the Probes are defined in Subroutine
GMULTI in file GRIDF. Users are advised not to alter or edit this
Subroutine. (The properties of single-atom Probes are defined in
Subroutine GPROBE. Those parameter values in GPROBE may be changed
by the User to other reasonable values. The User may also replace
the existing single-atom Probes with different ones).
* The NH moiety of these Multi-Atom Probes can be either cis
or trans with respect to the carbonyl oxygen, and this MUST be
specified by the User. The appropriate indicator should be included
in the list of Directives before IEND and the job-title like
this:
.
.
.
AR.CONHR
CIS
.
.
IEND
Title of the job |
If the CIS or TRANS indicator is not specified, the Multi-Atom
Probe will behave as if it had a complete NH2 moiety.