[gmx-users] spatial distribution function (SDF)

[chris.neale at utoronto.ca]

g_spatial -h

-or-

g_sdf -h



-- original message --

ai 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