[gmx-users] The solvent group Water is not continuous

Justin A. Lemkul jalemkul at vt.edu
Fri Apr 1 13:35:50 CEST 2011

ahmet yıldırım wrote:
> Dear Justin,
> I have Fatal Errror:The solvent group Water is not continuous. I look at 
> gmx-users mailing list search. I also have the same problem.
> You 
> said:(http://lists.gromacs.org/pipermail/gmx-users/2010-January/048344.html)
> It is exactly what I said; you've proven it. You have solvent, ligand, then
> solvent. To use genion (as the program prints out at the prompt) you must have
> a *continuous* group of solvent in order to embed ions. If you re-arrange the
> coordinate file and [molecules] section of the topology, you can achieve this.
> How can I do the re-arrange you said? Can you explain a little bit?

I don't know what there is to explain.  Water must be continuous in both the 
coordinate file and the topology in order to use genion.  You haven't said 
what's in your system or what you've done to it up to this point.


> Thanks
> -- 


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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