hi.. the sudden shoot up was observed in the RMS because of molecule breakage into monomer and dimer.we have also mutated some surface hydrophobic aminoacid and dint observe shoot up in any of the mutation. We have also observed the same shoot in the case of X ray crystallographic structure of template protein, when we did 10 ps simulation. what are the parameters which we need to take to avoid such shoot up??
thanx Bhargavi
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