[gmx-users] Reproducing runs

[Ranjani Krishnan]

Hi,

 

I have noticed that I cannot reproduce MD runs exactly -- running the exact
same .tpr file again gives different results. From previous posts, I have
seen some explanations for this. However, if I do AFM pulling simulations, I
am able to reproduce them exactly - running the same simulation twice gives
identical results.

 

Why is it possible to reproduce runs with AFM pulling, but not otherwise?

 

Thank you,

Ranjani

 

 

Ranjani Krishnan

Graduate student, Department of Biological Engineering

Massachusetts Institute of Technology

ranjanik at mit.edu

 

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