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 1 month 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 (almost 3 years ago)
• Default Branch: main
• Last Pushed: 2024-03-08T18:24:04.000Z (10 months ago)
• Last Synced: 2024-10-13T01:05:15.508Z (2 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: 19
• Watchers: 2
• Forks: 4
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE.txt
  • Citation: CITATION.cff

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