/tools/nmrformd

nmrformd

simongravelle/nmrformd

GitHub
datasetsimulationtoolmolecular-dynamics
25 stars6 forksPythonWebsiteAdded February 8, 2026
summary

NMRforMD is a Python script designed to compute dipolar NMR relaxation times (T1 and T2) from molecular dynamics trajectory files. It works with various simulation packages and includes datasets for practical use in NMR analysis.

description

NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.

topics

nmrmolecular-dynamicsnmr-spectroscopypythonfairlammpsgromacsopen-sourcesimulations

Ratings

N/A
0 ratings

Rate this tool:

Comments (0)

Sign in to leave a comment.

No comments yet. Be the first to share your thoughts!