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gmx sham

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How to Build a Free Energy Landscape from a GROMACS MD Trajectory
26
Jul

Turn a GROMACS trajectory into a 2D free energy landscape with gmx sham and PCA. Start mapping your protein’s conformational basins in kJ/mol today.

Posted in: Molecular Modeling ,
Tags: Free Energy Landscape , gmx sham , GROMACS , Molecular Dynamics , Principal Component Analysis , Trajectory Analysis ,