From: li (zlee_at_ustc.edu)
Date: Sun Oct 31 2004 - 05:44:31 CST
When two atoms of one bond were constrained in my simulation,
there always comes out error report like below:
BUG ALERT: Hydrogen group error caught in rattle1().
BUG ALERT: NAMD has detected a bug. Please notify namd_at_ks.uiuc.edu.
ERROR: Constraint failure in RATTLE algorithm for atom 85!
ERROR: Constraint failure; simulation has become unstable.
ERROR: Exiting prematurely.
I have made sure that the system had been equilibrated well before.
So what is the possible solution of this problem?
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