[gmx-users] Comparing different conformations of a polypeptide

[nur avneet]

Dear All
 
I have run different conformations of a polypeptide in spc water for 1ns, keeping the box size, volume and no. of water molecules same.
Can i compare the enrgies of the different conformations after simulation and on its basis say which one of them is stable. 
also, to see the conformation in its most stable form can i take that time point when the energy was minimum?
 
regards
nur


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