What is MOPAC2016TM ?
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 MOPAC2016TM ?
• 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 MOPAC2012TM
•
The semiempirical method PM7. This has improved accuracy for
systems that were not used in the parameter optimization process. New in MOPAC2009TM
• 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 MOPAC2007TM
• 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
