GROMACS version: 2023.3
GROMACS modification: Yes/No
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Dear All,
Am completed MD Simulations for protein alone and complexes(protein_ligand) and Now i need PCA analysis for both protein alone and Complexes. Can you please me for find the
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What are the commands required for PCA analysis?
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How to extract PC1, PC2 and PC3 and how to anlayse the variance between PC1 & PC2 and PC2 & PC3 and PC3 & PC1 in percentage?
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Finally how to get scattered plots for all the three PC’s ?
I need scattered plots like this