[gmx-users] problem with result from g_rdf
omovie_johnnie at hotmail.com
Fri Dec 21 15:40:19 CET 2007
Dear all, When I use g_rdf to find the rdf between the alpha C-atoms in my simulation, I get the usually expected result.However, when I use g_rdf to get the rdf between just the central alpha C-atoms of the two peptides (my simulation is 2 peptide in a box of water, each peptide has 3 residues), I get some really weird result:
I get several plots that start off from a peak and gradually die off at the cut-off radius.I would appreciate any help.RegardsJohn
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