[gmx-users] g_rdf

Dallas Warren dallas.warren at vcp.monash.edu.au
Wed Nov 26 02:56:02 CET 2003

>               I have Cl- and Na+ en water, how I can do the rdf
>to:  Oxigen with Cl-, Oxigen with Na+, Hidrogen with Na+, Hidrogen
>with CL-?

Generate an index file (make_ndx) that has groups of Cl-, Na+, OW and HW1 + 
HW2.  Then run g_rdf for each of the pairs of groups you are interested in 
for a given trajectory.

Catch ya,

Dr. Dallas Warren
Research Fellow
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 9083
When the only tool you own is a hammer, every problem begins to resemble a nail.

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