Abdul Aziz Mandal

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Questions related from Abdul Aziz Mandal

How to fix the molecules axis as size of oligomer vs time plot using gromacs and xmgrace plot?

This plot molecules axis based on both protein as well as ligand then to minimize such a big number. Should I divide the molecule axis with the protein's total atom number or divide it with both...

26 February 2024 8,778 0 View

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?

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

20 February 2024 3,592 0 View