Software Available at East Carolina University

Gaussian

The Gaussian software package performs quantum mechanical electronic structure calculations on molecular systems. It is one of the most versitle and widely used software packages by North Carolina researchers and educators. ECU has a statwide license for Gaussian.

NwChem

The NwChem software package performs quantum mechanical electronic structure calculations on molecular systems. NWChem has been developed by the Molecular Sciences Software group of the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL). Most of the implementation has been funded by the EMSL Construction Project.

GAMESS

The GAMESS software package performs quantum mechanical electronic structure calculations on molecular systems.

MrBayes

MrBayes is a program for the Bayesian estimation of phylogeny

POY

POY is a program for phylogenetic analysis of DNA and other data using dynamic homology

Amber

The Amber software package is a suite of programs for performing and analysing molecular dynamic simulations on biomolecules.

Accelrys

The Accelrys software package consists of a suite of programs for doing calculations in the Life and Material Scineces. ECU has 49 token licenses for the Accelrys products. Most of the Accelrys application software is installed on the SGI Origin 350.