[gmx-users] genion

Dallas Warren dallas.warren at vcp.monash.edu.au
Tue Mar 1 03:59:49 CET 2005

>I used "genion" to add a Cl- to neutarlize my system. But I just noticed
>that the Cl- was put within the protein. Is it supposely like this???

Did you use it in replacing a water molecule?

It should just shove it where it fits, randomly around the box.  I suspect 
if you ran it again you will find that it puts it somewhere else.

Catch ya,

Dr. Dallas Warren
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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