Hi Lekpa,
you can increase the number of solute in the box....Can you?
Il 05/04/2011 17:26, Lekpa Duukori ha scritto:
> Hi all,
>
> I have a rather general question about concentrations in MD.
>
> I want to simulate a system were I have a number of solute molecules in a
> box of water. The problem is that experimentally solute concentrates is in
> micro-molars.
>
> > From my back of the envelope calculations to get solute concentrations right
> would need an enormous number of water molecules that I cannot afford.
>
> I am not sure of exactly how to proceed. Would just adding as much water
> molecules as I can handle be ok?
>
> I have seen a large range in experimental concentrations, from 30 to 200
> micro-molars. However it is known that about 20 micro-molars is the ideal
> amount required for optimal function and the effects of using approx. 30 or
> 200 micro-molars is identical.
>
> Any ideas welcome!
>
> Thanks.
>
> Lekpa.
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Received on Mon Apr 11 2011 - 16:00:04 PDT
