Chemistry Home > Research > Facilities and Centers > Linux Cluster > Software

 

Software

The software listed below is installed on hydra. Click on the program names for instructions on how to run the programs.

• AMBER 8 -- molecular dynamics package

 

• GAMESS -- ab initio and semi-empirical quantum chemistry package

 

• Gaussian 03 -- electronic structure calculation package with density funcional theory capabilities

 

• GaussView 3.0 -- graphical user interface for Gaussian 03

 

• MOLPRO 2006.1 -- ab initio programs for molecular electronic structure calculations

 

• NWChem 5.1 -- Northwest Computational Chemistry Package

 

• Intel 9.1 compilers -- C++ and Fortran compilers

 

• Portland Group 6.2 compilers -- C, C++ and Fortran compilers