[gmx-users] genion

Justin A. Lemkul jalemkul at vt.edu
Sat Mar 31 19:25:01 CEST 2012

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.




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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