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[lammps-users] about shake atoms error
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[lammps-users] about shake atoms error


From: "reza N.Z" <mrn.nz91@...24...>
Date: Mon, 10 Jul 2017 01:28:26 +0430

Dear lammps Users

I have faced "shake atoms %d %d %d missing on ..." error in a simulation with slab correction. I know that one of the molecules passes the boundary which the slab-correction is assigned. Losing this molecule does not have considerable influence on the simulation though. How can I pass over this issue without changing the simulation box?
I also used "thermo_modify" command with "lost ignore" option and it did not work.

Thank you so much. 

Best regards, 
Reza