Subject: ANNC: Mopac 2002 now available from Schrodinger

From: Schrodinger Announcements <[email-masked]>
Date: Tue, 19 Feb 2002 15:56:48 -0800 (PST)

Schrodinger, Inc. is pleased to announce the release of Mopac 2002 for Unix 
(including Linux). Mopac, the most widely used semiempirical quantum mechanics 
program in the world, is a general-purpose package for the study of chemical 
properties and reactions in gas, solution or solid-state. Mopac 2002's linear 
scaling algorithms, including the patented MOZYME algorithm, allow it to 
efficiently study systems up to 20,000 atoms, making it particularly suitable 
for proteins and DNA.

Mopac 2002 delivers increased accuracy and faster performance to a much broader 
range of systems.  Mopac 2002 includes:
* The PM5 method, which is 4 times more accurate than PM3 and AM1
* AM1-d parameters for the following transition metals: 
    Ti, V, Fe, Cu, Mo, Pd, Ag, and Pt
* All main-group elements and Zn, Cd, and Hg are available for 
    MNDO, AM1, PM3 and PM5
* Option to use external PM3(tm) parameter sets
* Linear scaling for COSMO, which facilitates solvation for large systems 
    Solvent phase takes only 25% longer than gas-phase
* More accurate and robust COSMO surface construction
* Improved convergence in MOZYME through level shifting
* Improved eigenvector evaluation increases speed and decreases memory 
    requirements

The advanced features of Mopac 2002 are also available on Windows and Macintosh 
in the CAChe package. Please visit http://www.schrodinger.com or contact 
[email-masked] to learn more about Mopac 2002 and CAChe 5.0.  The web 
site also has a full comparison, by element, of the PM5 method to other 
semiempirical parameter sets.