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


From: Steve Plimpton <sjplimp@...24...>
Date: Thu, 12 Oct 2017 07:32:03 -0600

doc/Section_errors.html explains this message
(and all others).  It also gives ideas on how
to fix it.

Steve


On Thu, Oct 5, 2017 at 2:18 PM, Jonathan Torstensen <jonators@...24...> wrote:
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 

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