Software Updates (Year04):

• MacroModel is upgraded to version 8.5 from 8.1. Please familiarize yourself with maestro, a new graphical interface. With the version 8.5, there is no older macromodel graphical interface available.

To use MacroModel version 8.5:

>maestro or macromodel85

Commands to use previous versions of MacroModel, type the following commands:

MacroModel version 6.5 (available on all subnets):

>macromodel65

MacroModel version 7.1 (available on only 4 subnets:47, 31, 11, 187)

>macromodel71

MacroModel version 8.1

>maestro81 or macromodel81

• GAMESS (Quantum Mechanical calculation package) has been installed.

To run the program:

>gms input_filename 01 1>& output_filename &

Input filename should be xxxx.inp and do not put the extension part when you submit for jobs.