[gmx-users] large VCM(group rest)

[Carla Jamous]

Hi,
when I get the error message: "water molecule cannot be settled",does it
have to do with the SETTLE parameter in gromacs?
If yes, does anyone know how to fix this?

Carla

On Thu, Oct 1, 2009 at 4:46 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> Carla Jamous wrote:
>
>> Hi,
>> I have a problem, I'm running EM, it works but when it comes to doing
>> position-restrained MD, it gives me this error message:
>>
>> Segmentation fault
>> Large VCM(group System): -1293135642624.00000, 358859374592.00000,
>> -846768177152.00000, T-cm:  6.13428e+26
>>
>> I searched the archives, it says to check-out: oldwiki.gromacs.org <
>> http://oldwiki.gromacs.org>
>> but this site doesn't exist anymore.
>>
>
> All of the content has been moved to the new site, albeit a very different
> organization system.  You should still be able to find it with a bit of
> digging.
>
>  So please can anyone give me the answer to this problem?
>>
>
> The problem is that your system is suddenly moving very fast, probably
> blowing up.  Without a further description of the system and seeing your
> .mdp file, it's hard to say what the root problem is.
>
> -Justin
>
>
>> Cheers,
>> Carla
>>
>>
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>>
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>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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