ERROR: Constraint failure in RATTLE algorithm for atom 232! ERROR: Constraint failure; simulation has become unstable.

From: Denish Poudyal (
Date: Wed Jan 02 2019 - 23:48:59 CST

I am getting this error eventhough I have given boundary conditions after
some calculations to my system. What would be the reason for this error?
What sort of constraints we should be careful about? ANd this error is
being shown for other atoms also(errors for few other atoms)
-A beginner in NAMD simulation.

*Denish PoudyalCDPTU, Nepal*

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2019 - 23:20:25 CST