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[lammps-users] about TAD and deposition
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[lammps-users] about TAD and deposition


From: Fernanda S Teixeira <nandast@...6816...>
Date: Mon, 28 Aug 2017 11:46:07 -0300

Dear Lammps users and developers,

  I am workin with deposition and I am trying to run TAD (Temperatura Accelerated Dynamics). This is because after each deposition I want to know if a have a long term diffusion.

  My doubt is: If I run tad with boundary conditions "ppm" I have problems of different atoms number or different bonds number between replicas. I have tried to minimize the system before running tad, but it didn't help. 
   If I run tad with "ppp", everything is ok. But my system is not ppp, I have a surface!

   Any tips or considerations?

Thank you in advance,

Fernanda
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