[gmx-users] Non-zero total charge

chris.neale at utoronto.ca chris.neale at utoronto.ca
Thu Sep 1 15:11:25 CEST 2011


6.300000e+01 = 63

-- original message --

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

Please let me how i can rectify the situation.

Many thanks,
Munishika
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