Regarding rmsf residue

01 January 1970 1 3K Report

Hello everyone

I have a query regarding md simulations

As I received CSV file for md data from my collaborators.. but the problem is in that file they did not mention the residue no for the rmsf of protein and ligand.. only time point total energy and rmsf values are given.

Can anyone help me how to find which rmsf values belongs to which residue

Thank you

Gautam Bhardwaj

look in to trajectory file. or repeat the command.

or if you handle VMD look it trajectory

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