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 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
