On Mon, Oct 11, 2010, xuemeiwang1103 wrote:
> partition error in shake on processor.
> this processor has atoms 9224 through 11195
> atom 9224 is within this range
> atom 9223 is not witnin this range !
Is there anything non-standard about your system, i.e. other than just a
pure protein? Did you create any cross-links? Sander assigns atoms to
processors in a way that no bonds to hydrogen go across boundaries, but
this seems to have failed in your case. What are atoms 9223 and 9224?
What value of ntc have you used?
I don't recall seeing this problem before, so you may have to post your files
to provide more details.
....dac
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Received on Mon Oct 11 2010 - 05:00:02 PDT
