[gmx-users] Re: Non-zero total charge

[Dr. Vitaly V. Chaban]

> Hi,
>
>
> My system had a no zero total charge:
> System has non-zero total charge: 6.300000e+01
> I used genion to neutralize the system by adding 6 CL ions.
>
> After updating the topology file, the system still seems to have the same problem.
>
> It still has a non-zero total charge:
> System has non-zero total charge: 5.700000e+01
>


63 non-compensated ions in the single system... I wonder what this system is....

-- 
Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept.
Univ. Rochester, Rochester, New York 14627-0216
THE UNITED STATES OF AMERICA