Instructions on using MOPAC2016 with the MOE software

Based on materials provided by the Chemical Computing Group.

To type the "SetRC" command, you need to open MOE, press the SVL button in the top right corner of the MOE window, and type in the command. It is case sensitive, and on Windows, you need to use forward slashes in a file path. and make sure that there are plain single quotes e.g.

SetRC ['mopac2007.exe', 'c:/Program Files/MOPAC/mopac.exe']


Because MOPAC2016 is not a default part of MOE, it is necessary to specify the location of the executable program, which must be installed separately. The executable location is stored in the RC file, and can be configured using the SetRC command, e.g.:

SetRC ['mopac2016.exe', '/opt/mopac/mopac.exe']

MOPAC2016 requires a license file in order to run. The user should follow the MOPAC documentation regarding installing the license.


Keywords to a MOPAC calculation can be changed by launching a MOPAC calculation from (MOE | Compute | Simulations | SCF Calculation).  Then view the input file for MOPAC and make changes from there.