ams
Software Description
The Amsterdam Modeling Suite includes ADF, BAND, DFTB, MOPAC, ReaxFF, and UFF. This suite of tools can be applied to gas phase molecules, solvated molecules, and molecules in protein environments. It can treat all elements of the periodic table, and contains state-of-the-art relativistic methods (ZORA and spin-orbit coupling) to treat heavy nuclei.
Info
Module Name
ams
Last Updated On
08/29/2023
Support Level
Secondary Support
Software Access Level
Open Access
Home Page
Documentation
Software Description
The Amsterdam Modeling Suite includes ADF, BAND, DFTB, MOPAC, ReaxFF, and UFF. This suite of tools can be applied to gas phase molecules, solvated molecules, and molecules in protein environments. It can treat all elements of the periodic table, and contains state-of-the-art relativistic methods (ZORA and spin-orbit coupling) to treat heavy nuclei.
General Linux
To load this module for use in a Linux environment, you can run the command:
module load ams
Depending on where you are working, there may be more than one version of ams available. To see which modules are available for loading you can run:
module avail ams
Agate Modules
Default
2020.101
Other Modules
2020.101
Mangi Modules
Default
2020.101
Other Modules
2020.101
Mesabi Modules
Default
2020.101
Other Modules
2020.101