[gmx-users] Re: Ion distribution around Cl fix

[Saeid Akbarshahi]

Dear All
I want to simulate a  boxfilledwater that includes 10 sodium ion and 9 chloride ion .
a chlorine fixed placein center of box simulation to see how it affects the distribution ions .
Two graphs were obtained for the distribution of ions than to Cl fix (chlorine fixin center of box)
Question :Do not very highPeak chart  in rdf sodiumthan to Cl fix?

The total electrical charge = 10 + (-10) = 0

Box : 2.65 *2.65 *2.65 nm
force field : AMBER99SB-ILDN

Number of Na : 10 

Number of Cl : 9
Number of Cl fix  : 1
Time simulation : 4 ns
Water : TIP3P

Kind Regard

saeed.akbarshahi
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