How to insert the molecules in gromacs based on surface area of polymer molecules ?

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Hamed Zahraee

Dear Ganesh Reddy,

You can find detailed instructions for performing on-the-fly analysis using the MDAnalysis tool in the following links:

https://www.mdanalysis.org/2020/03/09/on-the-fly-transformations/

https://docs.mdanalysis.org/stable/documentation_pages/trajectory_transformations.html

Best regards

Ganesh Reddy

Thanks for your response Hamed Zahraee , Is the on the fly approach you mentioned can be used to constrain the polymer surface area at different intervals