nmrformd

Calculate dipolar NMR relaxation time from molecular dynamics trajectory file

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Project description

NMRforMD is a Python toolkit to calculate NMR relaxation times from molecular dynamics trajectory files. Used in combination with MDAnalysis, it allows for the analysis of trajectory files from any MDAnalysis-compatible simulation package, including LAMMPS and GROMACS.

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These details have not been verified by PyPI

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This version

0.1.1

Jul 7, 2023

0.1.0

Jul 23, 2022

0.0.9

Jul 21, 2022

0.0.8

Apr 11, 2022

0.0.6

Jan 29, 2022

0.0.4

Jan 29, 2022

0.0.3

Jan 29, 2022

0.0.2

Jan 27, 2022

0.0.1

Jan 26, 2022

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Uploaded Jul 7, 2023 Python 3

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