[gmx-users] finding diffusivity at desired region in a simulation box

[Dallas B. Warren]

Best bet probably, with what is already available, is to create an index
group that is in the location, then measure the diffusion of those.

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
a nail.