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[lammps-users] Energy rise
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[lammps-users] Energy rise

From: Chuanxing Zhan <chuanxingzhan@...16...>
Date: Thu, 3 May 2018 22:09:24 +0000 (UTC)

Dear Lammps Users,

Hello, everyone. I used the lammps to equilibrium small organic system. The system seems equilibrated after a long simulation period under npt ensemble. However, when I continued to run the simulation, the energy increase at a point and enter to equilibration again. Dose anyone know what happen with the system, or is this result reliable? Any help would be appreciated.


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