<br><br><div><span class="gmail_quote">2007/3/7, marco cammarata <<a href="mailto:marco.cammarata@esrf.fr">marco.cammarata@esrf.fr</a>>:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi,<br><br>I'm using g_rdf to calculate the RDF of a system.<br>The "r range" ends at 3nm.</blockquote><div><br>r range ends at 3nm because (your box size)/2 is 3 nm<br></div><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
I would like to change it to 100nm but it seems that there are<br>no option for it.</blockquote><div><br>100 nm? Are you sure? it is much biggger than your box size, so you will have some pairs between an atom and itself (in other boxs).
<br><br>If you really want so, you can change some lines in the gmx_rdf.c.<br> </div><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Can you help me ?
<br>thanks,<br>marco<br><br>--<br>Marco Cammarata,<br>Post-Doc<br>European Synchrotron Radiation Facility<br>Material Science Group<br>6, rue Jules Horowitz<br>BP 220, Grenoble Cedex 38043, FRANCE<br><br>Beamline ID09b<br>
Office : +33 (0)4 76 88 29 37<br>Beamline : +33 (0)4 76 88 26 95<br>Fax : +33 (0)4 76 88 27 43<br>email: <a href="mailto:marco.cammarata@esrf.fr">marco.cammarata@esrf.fr</a><br><a href="http://www.esrf.fr/UsersAndScience/Experiments/MaterialsScience/ID09B/">
http://www.esrf.fr/UsersAndScience/Experiments/MaterialsScience/ID09B/</a><br><a href="http://www.fisica.unipa.it/~emoglobina/marco">http://www.fisica.unipa.it/~emoglobina/marco</a><br><br>_______________________________________________
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</a><br></blockquote></div><br><br clear="all"><br>-- <br>Sincerely yours,<br>**********************************************<br>Baofu Qiao, PhD<br>Frankfurt Institute for Advanced Studies<br>Max-von-Laue-Str. 1<br>60438 Frankfurt am Main, Germany TEL:+49-69-7984-7529
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