[gmx-users] Radial density calculation

[Dallas Warren]

Just calculate the radial distribution function from particle-to-particle.

You can then integrate that probability to get a mass density at a given radius, using the average overall system density.

Catch ya,

Dr. Dallas Warren
Drug Discovery Biology
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
+61 3 9903 9304
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When the only tool you own is a hammer, every problem begins to resemble a nail.