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[lammps-users] High pressure fluctuations with ReaxFF
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[lammps-users] High pressure fluctuations with ReaxFF


From: Rajesh <creativeidleminds@...24...>
Date: Wed, 30 Aug 2017 18:19:08 +0530

Dear lammps users

I am trying to deform polyethylene using fix deform command with ReaxFF with NPT ensemble. But I am getting huge pressure fluctuations in pressure pxx, pyy and pzz. How can I avoid these fluctuations? This may not be lammps specific question but experienced users can answer it. 


Thanks


Rajesh.