[gmx-developers] Computing the density of water around water

[Dallas B. Warren]

> go into each g2(r).  However, I'm not sure if one can do this for the 
> three-dimensional density calculations.

FYI, someone wrote a script, g_sdf, awhile ago that generates the
spatial distribution function around an atom/molecule.  So that might
already do what you are looking to do here.

Catch ya,

Dr. Dallas Warren
Lecturer
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 9524
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When the only tool you own is a hammer, every problem begins to resemble
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