https://github.com/uibcdf/molsystems_uibcdf

https://github.com/uibcdf/molsystems_uibcdf

Last synced: 2 months ago
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• Host: GitHub
• URL: https://github.com/uibcdf/molsystems_uibcdf
• Owner: uibcdf
• License: mit
• Created: 2018-05-22T17:48:56.000Z (about 7 years ago)
• Default Branch: master
• Last Pushed: 2018-06-07T16:20:23.000Z (almost 7 years ago)
• Last Synced: 2025-01-23T03:14:10.186Z (4 months ago)
• Language: Python
• Size: 192 KB
• Stars: 0
• Watchers: 2
• Forks: 0
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • License: License

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README

        
# TestSystems

This has to be the repository of systems to be commonly used to test computational approaches.

The procedure has to be similar to what is used in j. chodera's lab. 

Though there is room for systems prepared for gromacs or amber, this repo has to be prepared to import the systems easily with openmm.

Where to find examples:

https://github.com/choderalab/openmmtools/blob/master/openmmtools/testsystems.py

https://github.com/choderalab/openmm-tutorials