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gmx covar

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How to Do Principal Component Analysis (PCA) on a GROMACS Trajectory: Essential Dynamics for Beginners
02
Jul

Run PCA on a GROMACS trajectory with gmx covar and gmx anaeig to extract the dominant collective motions. Start building thesis-grade figures today.

Posted in: Molecular Modeling ,
Tags: Essential Dynamics , gmx covar , GROMACS , Molecular Dynamics , Principal Component Analysis , Trajectory Analysis ,