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.
What's new in MOPAC2016™ ?
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
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