Schrödinger suite Installations on Tetralith & Sigma

NSC has two licenses for Schrödinger software – one covering Jaguar, Maestro, Desmond, and the Quantum Espresso interface that is freely available to all academic users at NSC, and one covering most other Schrödinger products, which you can buy into on a per-user basis. Please see the Schrödinger licenses page for details.

Schrödinger modules

Use the module avail schrodinger command to find available Schrödinger installations:

$ module avail schrodinger

-------------------------------------- /software/sse/modules ---------------------------------------
   Schrodinger/recommendation    (D)    Schrodinger/2018-4-nsc1-bdist
   Schrodinger/2016-4-nsc1-bdist        Schrodinger/2019-1-nsc1-bdist
   Schrodinger/2018-3-nsc1

  Where:
   D:  Default Module

Use "module spider" to find all possible modules.
Use "module keyword key1 key2 ..." to search for all possible modules matching any of the "keys".

Starting jobs from Maestro

Note: NSC recommends using ThinLinc when running graphical applications.

To start Maestro, you should first load a Schrodinger module:

$ module load Schrodinger/2019-1-nsc1-bdist
$ maestro

You are included in the following projects:
1. "nsc"
2. "snic2019-3-203"
3. "snic2018-3-251"
Enter the number for the project that you want to use for jobs submitted from Maestro [ 1 2 3 ]: 1
Using the project: "nsc"

*****************************************************************
Maestro Molecular Modeling Interface
Maestro is a product of Schrödinger, Inc.
Legal notices can be viewed by clicking Help->About Maestro
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Maestro on Tetralith


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