I do not have the exact tpr file for a mdrun xtc, how to analyze

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1

I have an xtc file from a md-run (performed last year)
However, due to data loss, I have lost the relevant tpr file.
How can I extract information about the simulation parameters, distance restrains, harmonic restraints in the simulation? Is there a way?

Please advice.
Thank you.

2

Hi,
if you still have the original input files or you can regenerate them somehow (structure, topology and mdp file), you can generate a new tpr file that you can use for the analysis.
\Alessandra

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3

Thanks Alessandra.
Unfortunately I do not have itp files. So, I am struggling with finding out the exact parameter set (harmonic restraints etc).