[gmx-users] D value

Dallas Warren dallas.warren at vcp.monash.edu.au
Mon Mar 21 22:36:41 CET 2005

>       I have a question regarding the diffusion coefficient(D).I have run a
>simulation of a bilayer with mixture of 'A' and 'water' on either side of
>the bilayer.Now how to find diffusion coefficient(D) of
>1)'A'in the bilayer.

Create an index group of the A molecules within the bilayer, then calculate 
D for those molecules.

Catch ya,

Dr. Dallas Warren
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9574
When the only tool you own is a hammer, every problem begins to resemble a nail.
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