Hi 1- Is it possible to change the pbc condition from xyz(default) to no(vacume) after finishing the annealing, in order to reach an integrated sturcture instead of wraped one? 2- What command should I execute? is fixed by trjconv? 3-It is probably a simple question, in MD we have also PBC set to xyz but the final structure is not wraped, what is the resean?
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