Re: atoms moving too fast

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Fri Nov 07 2003 - 10:11:43 CST

Hi,

There is a list of suggestions for these problems on the Wiki at
http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdTroubleshooting

If those don't help, you will probably need to post your input files (all
of them) on a web site or on BioCoRE so people can look at them. If you
don't want to make these public, send them to namd_at_ks.uiuc.edu and I'll
look at them when I get a chance.

-Jim

On Thu, 6 Nov 2003, himanshu chandola wrote:

> hello everyone,
> I had mailed here earlier about the error about atoms moving
> too fast. I increased my cutoff to 15 just to make sure that errors don't
> appear dude to the reason specified at
> http://www.ks.uiuc.edu/Research/namd/current/ug/node23.html
>
> Still the 'atoms moving too fast' error persists. I also don't have any
> atoms at 'uninitialized --(0,0,0)' coordinates.
>
> My protein is not in a box and at this moment i was just trying to
> equilibrate it.
>
> any suggestions about what could have been possibly gone wrong ?
>
> with kind regards,
>
> himanshu
>
> ----------------------------------------
> Morpheus: Do you believe in fate, Neo?
> Neo: No.
> Morpheus: Why Not?
> Neo: Because I don't like the idea that I'm not in control of my life.
>

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