[gmx-users] Non zero total charge
apaluch at nd.edu
Thu Sep 1 18:04:41 CEST 2011
I believe your problem is that you do not understand scientific notation.
5.700000e+01 = 57. Cl- has a charge of -1. Need I say more.
On Thu, Sep 1, 2011 at 11:46 AM, Munishika Kalia
<munishikakalia at yahoo.com>wrote:
> 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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