Hello,
I am using TM7.5.0 to carried out QM/MM simulations, but the number of point charge changed.
I used the following keywords in control file to add point charge:
$point_charges file=point_charges
$point_charge_gradients file=pc_gradient
I have totally 6668 point charges, but in the dscf output file, it only reads in 6662 point charges,
I have checked the point charge file, there are no errer or other problems with it.
So, I just wonder what's wrong with my calculation???
Thanks in advance!