[gmx-users] Equilibration step in MD

SHYANTANI MAITI shyantani.maiti at gmail.com
Thu Apr 26 10:15:01 CEST 2018


Dear all,
The rmsd obtained after equilibration of protein-protein complex at 1atm
pressure is quite high(5times) but the rmsd obtained for only 100ps
simulatrion of equilibration is quite stable. Which rmsd should be
considered?

-- 
Best regards,
*Shyantani Maiti*


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