[gmx-users] Re: Non-zero total charge
Dr. Vitaly V. Chaban
vvchaban at gmail.com
Thu Sep 1 15:25:52 CEST 2011
> 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
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