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> Date: Wed, 10 Jun 2009 12:16:16 +1000<br>> From: Mark.Abraham@anu.edu.au<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] units of eigenvalues of mass-weighted covariance matrix<br>> <br>> Wang Qin wrote:<br>> > Dear all,<br>> > I am confused on the units of the eigenvalues calculated from <br>> > g_covar of mass-weighted covariance matrix. From the output, it says the <br>> > unit is "(nm\S2\N)" but from my understanding, it is supposed to be kg/m2.<br>> <br>> Various of the GROMACS analysis tools don't write the correct units in <br>> .xvg output. This looks like such a case. There's a section early in the <br>> manual that describes the GROMACS unit conventions, from which you<br>> should be able to deduce what the units are.<br>> <br>> Mark<br><br>g_covar does write the correct units.<br>If your analysis would be mass weighted, it would have written (u nm\S2\N).<br>Apparently your output file is from a non mass-weighted analysis.<br>Note that by default the analysis is non mass weighted.<br><br>Berk<br><br><br /><hr />Express yourself instantly with MSN Messenger! <a href='http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/' target='_new'>MSN Messenger</a></body>
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