#1 Sun Apr 17, 2016 6:42 pm
Registered: Apr 2016
new QChem user here. Looking at the manual, I've seen there is the possibility to specify the grid of points for the evaluation of the ESP. I also see that it is possible to obtain MK ESP charges.
I was wondering whether it is possible to have QChem print the grid used for the MK fitting.
I apologize if this is written somewhere else, but looking at the manual and googling this didn't work.
Thanks in advance for the help,