[gmx-users] genion

[Justin A. Lemkul]

Eduardo Oliveira wrote:
> Hi all,
> 
> I' ve stumbled upon a problem when i used genion to prepare my files. 
> Here's the comand line:
> 
> genion_d -s sistema_stpr.tpr -o sistema_ions.gro -nname CL- -nn 3 -nq -1 
> -p sistema.toI
> 
> I've got this in return:
> 
> Fatal error:
> Your solvent group size (73282) is not a multiple of 19.
> 

What did you choose as the group in which to insert ions?  If you chose 
"System," that's an incorrect approach.  I would suggest you refer to to some 
basic tutorial material to make these workflows more clear.

http://www.gromacs.org/Documentation/Tutorials#General_GROMACS_Use

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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