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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