[AMBER] ion distribution-doubt

From: Mary Varughese <maryvj1985.gmail.com>
Date: Thu, 20 Jul 2017 12:08:29 +0530

Sir,


I want to understand how the ion distribution around DNA changes upon
a ligand binding in simulation of DNA-ligand complex. Could any one
suggest a method to do this.
Also when i do grid analysis of water i have created a Na.explorer
also. But i dont know how the range should be given (in water analysis
we would say 2 or 3 times bulk water density). Is grid analysis of Na+
ions a suitable approach? if i add both Na+ and Cl- ions, should i
create .explorer for both Na+ and Cl- ?



thanking you

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Received on Thu Jul 20 2017 - 00:00:02 PDT
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