Schrodinger
| Description | ||
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Schrodinger Molecular Modeling Platform |
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| Site | Version | Notes |
| Not currently available | ||
License
The Schrodinger suite is commercial software and is made available for existing license holders who are expected to provide access to a floating license and to ensure that their use of the software is within the terms of their license.
Users of this application should credit the code authors and the NGS accordingly and where applicable the specific site where the code is installed, when publishing work using NGS resources.
Running the Application on the NGS (General)
Schrodinger has its own mechanisms for launching jobs.
Users will need to copy a valid license.dat file to the compute system and set the
SCHROD_LICENSE_FILE
environment variable to the path of this file.
A script
/usr/ngs/SCHRODINGER_2009u2
is available that is equivalent to setting up the Schrodinger environment and launching a command via the Schrodinger 'run' command.
More information is available on the Schrodinger web site.
Applications Support
The NGS cannot offer scientific support for applications. However if you require further information or believe there is something wrong with the installation, please contact the NGS support centre.
Acknowledgements
Please note: When publishing work based on use of the NGS, users should acknowledge both the authors of any programs used (see the individual program web sites, or contact the authors directly) and the NGS directly using the following line:
"The authors would like to acknowledge the use of the UK National Grid Service in carrying out this work"
This line must also accompany any use of the NGS logos.
