Waleed
>I am studying the aggregation of a solute in water and DMSO (5%) mixture.
Units of % (weight percent right) are in terms of mass not volume. So the mass of DMSO should account for 5% of the total mass in the box.
>1) is there a method to attain the experimental concentration with the least number of atoms?
You need to figure out how many DMSO you need and add enough waters to get the correct mass of the system.
Hope that helps
Cody
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Apr 15 2013 - 17:30:02 PDT