General FAQ > General FAQ
RELAX stops with an error "keyword $intdef missing in file" ...
(1/1)
turbomaster:
Q: RELAX stops with an error about internal coordinates:
keyword $intdef missing in file
but I don't use internal coords at all!
A:
If you have tried to automatically generate internal coordinates and 'iaut' failed, or if you have started with internal coords and changed later to another symmetry and told DEFINE that you do NOT want to use internal coordinates, it sometimes happens that the control file won't be changed. Check that you've switched to cartesian optimization:
$optimize
internal off
redundant off
cartesian on
Navigation
[0] Message Index
Go to full version