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Hi,<br><br>You can look at the code yourself :)<br><br>I coded this and -or (which I assume you are talking about)<br>is G with 1/nm as a unit.<br>It gives the probability that a particle has moved a distance r.<br>The 1/nm is the normalization to make the values bin-size independent.<br><br>Might it be that the difference in interpretation comes from if you consider<br>normalization of the volume of sphere-shells or not?<br><br>Berk<br><br>> From: cari@purdue.edu<br>> To: gmx-users@gromacs.org<br>> Date: Tue, 4 Aug 2009 10:25:33 -0400<br>> Subject: [gmx-users] g_vanhove output<br>> <br>> Hi all,<br>> I believe there is a mistake in g_vanhove in version 4.0.5<br>> The 'xvg' output file labels the y axis as G, with nm^-1 as units.<br>> From the units, I guessed that the output was actually r^2 G, however<br>> the initial slope is linear and not quadratic. After a few tries I <br>> concluded that<br>> the output is actually r*G, which is not something really useful.<br>> I wonder if someone could look at the code and confirm this doubt in<br>> one way or another.<br>> <br>> Many thank,<br>> <br>> Marcelo Carignano.<br>> <br>> PS: I couldn't find this on the list, but it has been difficult to <br>> access the<br>> archives lately.<br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br><br /><hr />See all the ways you can stay connected <a href='http://www.microsoft.com/windows/windowslive/default.aspx' target='_new'>to friends and family</a></body>
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