How can I calculate the Radius of Gyration in YASARA dynamics?

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Zulkar Nain

Rimon Parves

Thank you so much bro. Which Macro should I edit! I found the 'radius of gyration' in Md_Analyze macro, is that it? Here I attached the default Md_Analyze macro. Please, help me out.

Fernando Prieto-Martínez

Dear Zulkar,

By default the aforementioned macro should return the radius of gyration on the trajectory. Which version of YASARA are you using? After looking the attached file, I found the issue. You must remove the # from the line 259.

Best regards

Rubaiat Ahmed

Dear Zulkar Nain vai, I'm working with MD simulation now and I'm taking the service of BioSol center. I have been an RA at the organization for some time and published a paper. I also attended a lecture of your in a workshop there.

I was hoping you can help with determining the Rg from trajectories obtained from Desmond (Schrodinger Suite) as a .dat file.

I have the RMSD and RMSF data, can I use these to calculate Rg?

And how can Rg help in determining the stability of a protein-protein complex?

Looking forward to your answer.