On Thu, Aug 01, 2013, CH NIMILITHA Nimilitha wrote:
>
> I tired to add ions and neutralise my protein of intrest. It says:
> > addions temp Na+ 0
> addIons: 1st Ion & target are the same charge:
> can't neutralize.
> How can i neutralize? what mistake would i have done?
As Amber error messages go, this one is pretty straightforward. The unit
"temp" presumably has a positive charge. So you can't neutralize it by
adding more positive charge (Na+).
You need to think about what salt environment you want to simulate. If you
really just want minimal salt to neutralize the molecule (for some reason),
you could substitute Cl- for Na+. But there is no single best answer.
...dac
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Received on Thu Aug 01 2013 - 05:00:04 PDT
