https://github.com/bio-phys/cnt-gaff
Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.
https://github.com/bio-phys/cnt-gaff
amber carbon-nanotubes force-field gaff molecular-dynamics
Last synced: 5 months ago
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Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.
- Host: GitHub
- URL: https://github.com/bio-phys/cnt-gaff
- Owner: bio-phys
- Created: 2018-02-01T22:45:23.000Z (over 8 years ago)
- Default Branch: master
- Last Pushed: 2020-01-27T19:28:54.000Z (over 6 years ago)
- Last Synced: 2025-09-09T19:34:59.746Z (9 months ago)
- Topics: amber, carbon-nanotubes, force-field, gaff, molecular-dynamics
- Language: Rich Text Format
- Homepage:
- Size: 60.6 MB
- Stars: 23
- Watchers: 5
- Forks: 8
- Open Issues: 0
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Metadata Files:
- Readme: README.md