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The first stage minimizes only the positions of solvent molecules and ions, and the second stage is an unrestrained minimization of all the atoms in the simulation cell
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10.1093/intimm/dxx031 Int Immunol
In order to delimit properly the study in such a universe, the conceitual and operational definition of the used terms was clarifild and it was also explained the focus over what the analysis was made (Andrade, 1995)
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