Dear Amber,
I am studying the aggregation of a solute in water and DMSO (5%) mixture. In this study I am simulating the experimental data of the aggregation of this solute, where the experimental concentration of the solute was 30 micromolar. I built the system of 10 molecules of the solute and it was surrounded by a mixture of WATER/DMSO solvent (octahedral) with a volume of 500000. when I calculated the concentration of this system it was around 30 milimolar. my question:
1) is there a method to attain the experimental concentration with the least number of atoms?
2) if I can not get the experimental concentration, what do you suggest me to resolve this issue?
Thank you
Waleed
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Received on Mon Apr 15 2013 - 13:00:03 PDT
