[gmx-users] Max diversity calculation

[alexander yakovenko]

Hi All, 
 
I need to select a few structures from MD trajectory, that has the lagest RMSD 
each from each. How can I do this? Is any links to source articles about 
algorithms of such procedure? 
Thank you, 
 
Alexander Yakovenko 
Institute of Molecular Biology & Genetic of NAS of Ukraine 
03143 
acad.Zabolotnogo str. 150 
Kiev 
Ukraine 
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E-mail: yakovenko_a at ukr.net