Hello!
I would like to run a MM2 Molecular Dynamics calculation with Chem3D 15.1.
In the Dynamics tab I'm using the default settings.
In the Job Type tab I checked the boxes for:
- Setup new Atom Types before Calculation
- Setup ne Atom Charges before Calculation
- Show Step Information 1
- Copy Measurements to Output Box
With these settings the calculation is running.
But if I choose also "Save Step Data In:" I get the error message "The 'Minimum Gradient' value must be >0.".
What could be the reason for that?
Thanks in advance for answers!