ERROR: Constraint failure in RATTLE algorithm for atom 1880!

From: jinhyo_at_comcast.net
Date: Mon May 18 2009 - 11:19:04 CDT

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Hi,

I am new to NAMD. I am trying to do minimization/equilibration. I am using the same config file found in the tutorial for ubiquitin equiltibration. After the minimization is done, the simulation stops with the following error. Can somebody help?

ERROR: Constraint failure in RATTLE algorithm for atom 1880!
ERROR: Constraint failure; simulation has become unstable.
ERROR: Exiting prematurely.

Park

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