Rattle Algorithm

From: Tamal Banerjee (tamal_at_iitk.ac.in)
Date: Thu Jul 06 2006 - 01:52:49 CDT

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Can anybody tell me what this error signifies.I am doing an NPT production
run in PBC condition.

ERROR: Constraint failure in RATTLE algorithm for atom 373!
ERROR: Constraint failure; simulation has become unstable.
ERROR: Exiting prematurely.

Thanks,

Tamal Banerjee

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