The tool t2x can be used to convert the atomic coordinates
stored in the $grad
and $coord
data groups into the xyz-format, which is supported by most viewers, e.g.
jmol
(http://jmol.sourceforge.net/
). Typing
t2x > opt.xyzin a directory containing the
control
file generates
a series of frames using the information of $grad
. Note t2x
writes to standard output which here is redirected to a file.
If you are only interested in the most recent structure, type
t2x -c > str.xyzwhich only extracts the information on
$coord
.