Chemistry and Biochemistry

MECP Software Download

MECPro1.0.3 is a program designed to find Minimum Energy Crossing Points for multiple electronic spin states. It interfaces with Gaussian 09 to calculate energies and gradients. Contact Professor Daniel Ess for details (dhe@chem.byu.edu).

Quick Installation Instructions:

1. Download and save MECPro1.0.4. 
2. Decompress and install using the following commands:
    tar -xvf mecpro_1.0.4.tar.gz
    cd mecpro_1.0.4
    source install.sh

Please cite as: MECPro Version 1.0.4: Minimum Energy Crossing Program (2017), Lily-Anne Hamill,
Justin D. Snyder, and Daniel H. Ess.
See further details in the readme.txt file.

Click here to download MECPro Version 1.0.4.