On Fri, Aug 31, 2012, Gabriel Jara wrote:
> > When i run a NTP simulation using pmemd.cuda (amber12 version with all the
> > bugfixes applied) I have the follow error:
> >
> > ERROR: max pairlist cutoff must be less than unit cell max sphere radius!
Do you get the same behavior with the CPU version?
What is your non-bonded cutoff? What is the "Largest sphere to fit in unit
cell" (as reported in the output file)?
....dac
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Received on Fri Aug 31 2012 - 16:00:03 PDT
