[gmx-users] spatial distribution function (SDF)

[naimah haron naimah]

Hai all...

Did anyone know how to do spatial distribution functions??? I have 125 ion pairs in my system. The problem is, 

1)how I can I get the 3-D probability distributions of anion around cation or cation around anion in my system? Could anybody tell me the method? 
2)When I read the GROMACS manual, I should create 4 group in my index file. Can anybody tell me what is first, second, three and for group represent??? I already try to do it, but  I'm failed to get the result.. 

Thanks 

IMA



      
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