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 Tue Apr 05 2011 - 08:30:04 PDT
