MOPAC2016™

What is MOPAC2016™ ?

MOPAC2016 is the successor to MOPAC2012. MOPAC2012 will no longer be supported.  Customers with MOPAC2012 support will be able to upgrade to MOPAC2016 at no cost.
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What's new in MOPAC2016™ ?

• Improved handling of large biomolecules. This includes the ability to more easily manipulate macromolecules, e.g., to ionize and de-ionize individual atoms and residues, superimposition and calculation of RMSD for pairs of systems, and easier specification of individual atoms.

New in MOPAC2012^TM
• The semiempirical method PM7.  This has improved accuracy for systems that were not used in the parameter optimization process.

New in MOPAC2009^TM

• The MOZYME function.  This is a linear-scaling SCF technique suitable for modeling proteins

For more information, click to see the MOPAC2009 brochure

New in MOPAC2007^TM

• NEW parameterization (PM6) using experimental and ab initio data
• More accurate* heats of formation and geometries
• ALL main group elements & transition metals parameterized
• Serious errors from PM3 and AM1 corrected
• Crystals, surfaces & polymers with periodic boundaries
• FREE to academics

Click here for background information on MOPAC

*compared to AM1, PM3 and some ab initio methods