Dear all,<div><br></div><div>I want to keep the lattice vectors orthogonal during optimization. Because the system is not isotropic, NPT_I cannot works .  </div><div>How can I fix the angle of cell during MD using NPT ensemble?<br></div><div><br></div><div>Can you give me some idea?</div><div><br></div><div>Best</div><div>Justin</div>

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