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  Thread: Atom # = 3111, nx = 30, ny = 16, nz = 15 ERROR: Out of range atoms - cannot compute PPPM

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Atom # = 3111, nx = 30, ny = 16, nz = 15 ERROR: Out of range atoms - cannot compute PPPM
Anyone see this error before?

Atom # = 3111, nx = 30, ny = 16, nz = 15
ERROR: Out of range atoms - cannot compute PPPM

WU = c4cw_ target02_ 017593271
[Sep 29, 2010 8:12:37 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Sekerob
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Re: Atom # = 3111, nx = 30, ny = 16, nz = 15 ERROR: Out of range atoms - cannot compute PPPM
The "out of range atoms" is occasionally reported. It's not something exclusive to this application... seems to be something that comes at times with computational biology and chemistry... at quantum level.

(pppm - Particle-Particle Particle-Mesh ... a guess :-)
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Dataman
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Re: Atom # = 3111, nx = 30, ny = 16, nz = 15 ERROR: Out of range atoms - cannot compute PPPM

(pppm - Particle-Particle Particle-Mesh ... a guess :-)

Just a guess too but I've seen the term "percent parts per million" used in Chemistry. Probably something else though. peace
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Re: Atom # = 3111, nx = 30, ny = 16, nz = 15 ERROR: Out of range atoms - cannot compute PPPM
PPPM = Pesky Programming Problem Mess biggrin
[Sep 29, 2010 11:07:53 PM]   Link   Report threatening or abusive post: please login first  Go to top 
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Re: Atom # = 3111, nx = 30, ny = 16, nz = 15 ERROR: Out of range atoms - cannot compute PPPM
Or: Postpone Program, Processor Melting.
[Oct 8, 2010 11:20:54 AM]   Link   Report threatening or abusive post: please login first  Go to top 
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