[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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