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



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