https://github.com/simongravelle/nmrformd
NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
https://github.com/simongravelle/nmrformd
fair gromacs lammps molecular-dynamics nmr nmr-spectroscopy open-source python simulations
Last synced: about 2 months ago
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NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
- Host: GitHub
- URL: https://github.com/simongravelle/nmrformd
- Owner: simongravelle
- License: gpl-3.0
- Created: 2022-01-21T14:56:37.000Z (over 3 years ago)
- Default Branch: main
- Last Pushed: 2025-05-03T11:40:18.000Z (6 months ago)
- Last Synced: 2025-07-09T14:07:43.322Z (3 months ago)
- Topics: fair, gromacs, lammps, molecular-dynamics, nmr, nmr-spectroscopy, open-source, python, simulations
- Language: Python
- Homepage: https://nmrformd.readthedocs.io/
- Size: 309 MB
- Stars: 25
- Watchers: 2
- Forks: 5
- Open Issues: 0
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Metadata Files:
- Readme: README.md
- License: LICENSE.txt
- Citation: CITATION.cff