Principal Component Analysis
How to Build a Free Energy Landscape from a GROMACS MD Trajectory
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.
How to Do Principal Component Analysis (PCA) on a GROMACS Trajectory: Essential Dynamics for Beginners
Run PCA on a GROMACS trajectory with gmx covar and gmx anaeig to extract the dominant collective motions. Start building thesis-grade figures today.