Dear Gromacs Users, I have a query about the g_rdf utility. I have two different systems of water with Ionic Liquid 1 and Ionic Liquid 2. When I plot the rdf using
g_rdf -f x_gro.pdb -s x.pdb -n rdf.ndx -o rdf1.xvg/rdf2.xvg -cn rdf1_cn.xvg/rdf2_cn.xvg -rdf res_com where rdf1/rdf2 is for water distribution around Ionic liquid 1/2, the rdf1.xvg clearly shows a higher first peak g(r) than the rdf2.xvg. Both also have minima at the same distance. However, the coordination number at first minima from rdf1_cn.xvg is lesser than the same from rd2_cn.xvg. How is this possible? If the peak is larger, the integration of it should give a higher value right? Please help. -- With Best Wishes Venkat Reddy Chirasani PhD student Laboratory of Computational Biophysics Department of Biotechnology IIT Madras Chennai INDIA-600036 -- 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
