Dear Turbomole users,
I am using Turbomole 6.5 for my QM/MM calculations using chemshell interface. I have a problem with reading point_charges in Turbomole.
The point charge file is included in the control ($point_charges file=pointcharges) and $point_charge_gradients block is also present in the control file. Furthermore, ridft and rdgrad prints out that
number of point charges read in = 27326
but it does not apply those in the calculations. The same happened with standalone running of ridft and rdgrad.
Anybody has some idea what is going wrong here? I would appreciate any suggestion to fix the problem.