Just add one Na+ more and you will have almost zero charge, which I think
is fine.
Best
marcin
> 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
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jun 09 2004 - 16:53:02 PDT