[gmx-users] Non zero total charge

Munishika Kalia munishikakalia at yahoo.com
Thu Sep 1 17:46:22 CEST 2011


The genion command i used is
genion -s genion.tpr -o ago_water_ions.gro -nn 6

I used this to add 6 CL ions and i got the following error:
  System has non-zero total charge: 5.700000e+01

So i should add another 5 CL ions to neutralize the system?

Many thanks,
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