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

From: Roshan Shrestha (
Date: Thu Jan 03 2019 - 01:08:21 CST

Hi Denish,
                 Is your system properly equilibrated? Can you either run
the equilibration simulation again and also try with smaller time steps.

On Thu, 3 Jan 2019, 11:35 Denish Poudyal < wrote:

> 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