Re: [AMBER] Solute concentration

From: Covington, Cody Lance <cody.l.covington.Vanderbilt.Edu>
Date: Tue, 16 Apr 2013 00:10:39 +0000

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



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Received on Mon Apr 15 2013 - 17:30:02 PDT
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