idef in the internal coordinate menu, you will
get the following information:
ENTER INTERNAL COORDINATE DEFINITION COMMAND
<x> <type> <indices>
WHERE <x> = k f d i
<type> = stre invr bend outp tors linc linp
comp ring pyrm bipy pris cube octa
THESE COMMANDS WILL BE EXPLAINED IN DETAIL IF YOU ENTER
<x> <type>? FOR SOME CHOICE OF <x> AND <type>, E.G. k stre ?
DEFAULT=GO BACK TO INTERNAL MAIN MENU DISPLAY=dis
The means the status (see page
) of the
internal coordinate entered (k, f, d, i).
The syntax is:
k stre 1 2
d tors 3 6 2 7
f bend 3 4 5
i outp 3 4 7 9
Note that in the third example atom 5 is the central atom of the angle!
TURBOMOLE