[gmx-users] g_rdf and lipid bilayer hydration

[Dallas Warren]

Would suggest you check to ensure that your index group and selection is for the atoms you think it actually is, and visually inspect the system at a number of times within the trajectory to see how the atoms are arranged relative to each other (and measure some actual distances, easy to do with VMD using the 2 button).

Catch ya,

Dr. Dallas Warren
Medicinal Chemistry and Drug Action
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
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.