How can I calculated rdf between to amino acid group in a protein and also rdf between amino acid and ligand which I used and below the code attached?

20 February 2024 0 4K Report

Is it really appropriate? Thank you in advance.

gmx rdf -f md_0_200mM_trp-2ta_pbc_center.xtc -s md_0_200mM_trp-2ta.tpr -n index.ndx -selrpos mol_com -seltype mol_com -o rdf_trp-trp.xvg

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