Dear cp2k users,<div>I am running on test about the constraint AIMD with slow growth over the N2 departure. The whole system is simple, which only contains 2 N atoms in the 10 angstrom cubic box. Attached is my .inp file and the trajectory.xyz file for AIMD process. And the COLVAR is the distance between two N atoms. </div><div><br /></div><div>1. However, I find the during the whole AIMD trajectory, the whole N2 is rotating. I am wondering if my .inp setting possesses some problems?</div><div><br /></div><div>2. How to print the COLVAR change during constraint AIMD. I can achieve the LagrangeMultLog. But without COLVAR change, how to plot the free energy change curve?</div><div><br /></div><div>Best regards,</div><div>Xuan</div>
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