ERROR: Constraint failure in RATTLE algorithm for atom 127!

From: Shahid Qamar (qamar13_at_hotmail.com)
Date: Wed Apr 13 2005 - 14:20:16 CDT

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Hi,
I am running a SMD simulations. Where I have Polymer and a ring. The polymer
goes through the ring and I apply a force to the ring to thread the polymer.
But it gives me the error

ERROR: Constraint failure in RATTLE algorithm for atom 127!
ERROR: Constraint failure; simulation has become unstable.

Any idea what is this error and how I can get rid of it.

Thanks

Shahid

• Next message: Michel Espinoza-Fonseca: "RE: ERROR: Constraint failure in RATTLE algorithm for atom 127!"
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