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

From: Roshan Shrestha (roshanpra_at_gmail.com)
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.
Thanks

On Thu, 3 Jan 2019, 11:35 Denish Poudyal <qrystal45_at_gmail.com 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*
>

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