Protein-Ligand Complex Radius of Gyration Inquiry

GROMACS version: 2020.3
GROMACS modification: Yes/No
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Hello, I completed the protein-ligand gromacs tutorial, please tell me may I check the Radius of Gyration for this protein or will it in complex skew these results?

Much Thanks:)
Joel

Hi,
Not sure that I got your question. Anyway to calculate RMSD and Radius of Gyration of acsystem you can use the tools gmx rms and gmx gyrate. You can choose to calculate for only a protein or for a complex (protein+ligand) (using option -n).
Kind regards
Alessandra

Hello ok thanks a bunch:)