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<body class='hmmessage'><div style="text-align: left;">Hi,<br><br>g_covar calculates the covariance matrix, which I guess is what you ask for.<br><br>Berk.<br></div><br><br><br><hr id="stopSpelling">> Date: Mon, 21 Apr 2008 18:05:41 +0530<br>> Subject: Re: [gmx-users] DCCM<br>> From: ramya@research.iiit.ac.in<br>> To: gmx-users@gromacs.org<br>> <br>> <br>> Dear all,<br>> <br>> In some of the papers i read a cross-correlation analysis is meant to<br>> calculate the associated movements over the simulation for residues.<br>> <br>> A value of Cij is calculated which when +ve means that the given<br>> pair of atoms are moving together in the same direction and the same phase.<br>> <br>> But i'm not sure of calculation of Cij. It would be helpful if anyone<br>> who has performed DCCM analysis can guide me of the procedure needed<br>> to follow.<br>> <br>> Thanks in adv.<br>> Ramya.<br>> <br>> > madam,<br>> > what do you mean by cross correlation analysis if you explain<br>> > i can say tools available<br>> ><br>> ><br>> ><br>> ><br>> > Ramya Cherukupalli <ramya@research.iiit.ac.in> wrote:<br>> > Dear all,<br>> ><br>> > I am presently working on MD of Lipases. I want to perform the<br>> > Dynamic Cross correlation analysis of the same. I have read some<br>> > papers..But i am still not clear on the procedure to be carried out.<br>> > Can anyone please help me out.<br>> ><br>> > Thanks in adv.<br>> > Ramya.<br>> ><br>> ><br>> ><br>> ><br>> ><br>> ><br>> > _______________________________________________<br>> > gmx-users mailing list gmx-users@gromacs.org<br>> > http://www.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>> ><br>> ><br>> > ---------------------------------<br>> > Unlimited freedom, unlimited storage. Get it now<br>> ><br>> > _______________________________________________<br>> > gmx-users mailing list gmx-users@gromacs.org<br>> > http://www.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>> <br>> *<br>> <br>> <br>> <br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.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 />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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