[gmx-users] How to neutralize 0.748e system charge

[Mark Abraham]

On 13/12/2011 9:59 PM, Sundargenesan wrote:
>
> Dear GROMACS users,
>
>
> Total charge of my system:
>
> Including chain 1 in system: 2041 atoms 207 residues
>
> Including chain 2 in system: 2036 atoms 206 residues
>
> Including chain 3 in system: 44 atoms 1 residues
>
> Now there are 4121 atoms and 414 residues
>
> Total mass in system 46007.483 a.m.u.
>
> *Total charge in system 0.748 e*
>
> Is it possible to make charge in system zero and how?
>
>
http://www.gromacs.org/Documentation/Errors#System_has_non-zero_total_charge 

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