"Constrain failure" in NAMD

From: Michael Chen (chenm_at_upstate.edu)
Date: Fri May 07 2004 - 14:43:41 CDT

Hello, Everyone,

    Hope all is well for you.
    It was so strange for me that when I used "run" command, I got lots of
ERROR messages as following:

ERROR: Constraint failure in RATTLE algorithm for atom 2264!
ERROR: Constraint failure; simulation has become unstable.

    What did this mean? How should I kill this problem? I minimized my
system for quite a long time, and I turned the constraint on for the whole
backbone.
    Thanks for the answer.
    May you have a nice day.

*****************************************************
Michael Chen

Department of Biochemistry
SUNY Upstate Medical University
750 East Adams Street
Syracuse, NY 13210
USA
*****************************************************

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