[gmx-users] large VCM(group rest)

Justin A. Lemkul jalemkul at vt.edu
Thu Oct 1 16:46:05 CEST 2009



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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-- 
========================================

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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