[gmx-users] rdf

[Nilesh Dhumal]

Hello,

I have a system with 128 emi (cations) and 128 Cl (anions).

I want to study is there any bifurcated interaction between hydrogen of
cation and CL atoms or CL atom interacting with 2 different hydrogen of
cation.

For this I considered all CL atoms are distinguishable.

I am thinking to run rdf between each hydrogen and each cl atom (RDF 128
times).

In my index file I made 3 groups for 3 different hydrogen and 128 groups
for 128 cl atoms.

I have to run 128 * 3 = 384 times rdf

Is this the correct way? Is there any other easier way to do this?

I am using Gromacs 4.0.7 version.

Thanks

Nilesh