MOPAC2016 v16.299L

MOPAC is a semiempirical quantum chemistry software package for the prediction of chemical properties and modelling of chemical reactions. MOPAC2016™ is the successor to MOPAC2012™ and has improved methods for modelling large biomolecules.

Accessing the software

To load the module:

$ module load apps/mopac2016/v16.299L

An example command to include in your job script:

MOPAC2016.exe <mopac_data>

Accessing Previous Versions

Wherever possible, previous versions of this application will be retained for continuity, especially for research projects that require a consistent version of the software throughout the project. Such versions, however, may be unsupported by IT Services or the applications vendor, and may be withdrawn at short or no notice if they can no longer run on the cluster - for example, essential operating system upgrades may be incompatible with old versions.

Previous versions of this application are recorded below:

Known Problems & Limitations


Other Information

The Support Level for this application is An.

Visit the MOPAC website for more information regarding this application.

Last modified: 7 December 2017