Schrödinger is a scientific leader in computational chemistry, providing software solutions and services for life sciences and materials research.
The Schrödinger suite is available on SAGA and FRAM:
Follow these steps to use the Schrodinger software package on SAGA:
NOTE: Before running any jobs, you need to make a copy of the schrodinger.hosts file as described here.
NOTE 2: Schrodinger uses its own wrapper on top of the SLURM queuing system. Please take the time to ensure that you understand how this works: Schrodinger job control facility.
License and access
The Schrödinger suite is currently available on
SAGA and the license is paid by the users.
For the recommended citation(s), please consult https://www.schrodinger.com/citations.