Hi,
-7.994000 is pretty close -8. If you add 8 Na+, your system will have a
net charge of 0.006, thought not zero, but quite small and should be OK.
Guanglei
scopio wrote:
> Dear Amber Users:
>
> I have a system contains many hetero atoms and had managed producing
> parameters with antechamber. I found the unperturbed charge is not zero
> but -7.994000. After I added Na+ to the system by addions command, the
> charge is still not zero with the value of -0.994000. I'm not sure the
> charge would does matter to my MD process but I think it's safe to
> neutralize the system. Any helps would be very appreciated!
>
> Best!
>
> Liu
>
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Received on Wed Jun 09 2004 - 16:53:02 PDT
