[gmx-users] rdf

nicolas Dinter dinter at rc.m-kagaku.co.jp
Wed Jun 23 08:50:58 CEST 2004

Dear Gromacs users,

I made a NVT simulation for a 120 rigid benzene, at 293.15K and 1 bar.
I get stange results from g_rdf witch shows me a raise at 0.18 nm!
I tryied both g_rdf -com and g_rdf but it was alway bad.
Every atoms are in the same group, recl=5, and I chose to see 1 group. To me
it could compute the benzene-benzene rdf.
Could anyone get any idea?


Nicolas Dinter

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