Pointcharges problem

[basklau]

Hi!

Why is it not possible to read pointcharges from a file, i.e wirting in the control file something like
$point_charges file=pointcharges?

Thank you
basklau

[Ian K]

It is, or at least I managed to get it to work. If you're having problems with it, though, things to check:

• Remember to put

  $end

  at the end of the new file.
• If you're specifying extra keywords on the $point_charges line, e.g.

  $point_charges file=pointcharges list

  , Turbomole seems to be a bit picky about the order these come in: the following order worked for me, but others didn't.

  $point_charges file=pointcharges self-energy list

(I'm using 6.2.)

[basklau]

Thank you!

The $end was the problem!

basklau