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[lammps-users] Finding out if the molecule or in file is bad.
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[lammps-users] Finding out if the molecule or in file is bad.


From: Jonathan Torstensen <jonators@...24...>
Date: Thu, 5 Oct 2017 22:18:44 +0200

Hi! 
I am running an MD simulation and I get 

ERROR on proc 0: Out of range atoms - cannot compute PPPM (../pppm.cpp:1927)

How can I get LAMMPS to tell me which atoms that are out of range? 

And how can i find pppm.cpp:1927? 


Best Jonathan