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MDAnalysis

StemSkills Lab > MDAnalysis
How to Analyze a GROMACS Trajectory in Python with MDAnalysis: A Step-by-Step Guide for Beginners
17
Aug

Load a GROMACS .tpr and .xtc into MDAnalysis, reproduce RMSD and RMSF in Python, and write the per-frame analysis no gmx tool gives you.

Posted in: Molecular Modeling ,
Tags: GROMACS , MDAnalysis , Molecular Dynamics , Python for Biology , Trajectory Analysis ,