[gmx-users] DCCM

[Berk Hess]

Hi,

g_covar calculates the covariance matrix, which I guess is what you ask for.

Berk.



> Date: Mon, 21 Apr 2008 18:05:41 +0530
> Subject: Re: [gmx-users] DCCM
> From: ramya at research.iiit.ac.in
> To: gmx-users at gromacs.org
> 
> 
> Dear all,
> 
>     In some of the papers i read a cross-correlation analysis is meant to
> calculate the associated movements over the simulation for residues.
> 
>     A value of Cij is calculated which when +ve means that the given
> pair of atoms are moving together in the same direction and the same phase.
> 
>     But i'm not sure of calculation of Cij. It would be helpful if anyone
> who has performed DCCM analysis can guide me of the procedure needed
> to follow.
> 
> Thanks in adv.
> Ramya.
> 
> > madam,
> >              what do you mean by cross correlation analysis if you explain
> > i can say  tools available
> >
> >
> >
> >
> > Ramya Cherukupalli <ramya at research.iiit.ac.in> wrote:
> > Dear all,
> >
> >      I am presently working on MD of Lipases. I want to perform the
> > Dynamic Cross correlation analysis of the same. I have read some
> > papers..But i am still not clear on the procedure to be carried out.
> > Can anyone please help me out.
> >
> > Thanks in adv.
> > Ramya.
> >
> >
> >
> >
> >
> >
> > _______________________________________________
> > gmx-users mailing list    gmx-users at gromacs.org
> > http://www.gromacs.org/mailman/listinfo/gmx-users
> > Please search the archive at http://www.gromacs.org/search before posting!
> > Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.
> > Can't post? Read http://www.gromacs.org/mailing_lists/users.php
> >
> >
> >
> > ---------------------------------
> >  Unlimited freedom, unlimited storage. Get it now
> >
> > _______________________________________________
> > gmx-users mailing list    gmx-users at gromacs.org
> > http://www.gromacs.org/mailman/listinfo/gmx-users
> > Please search the archive at http://www.gromacs.org/search before posting!
> > Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.
> > Can't post? Read http://www.gromacs.org/mailing_lists/users.php
> 
> 
> *
> 
> 
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

_________________________________________________________________
Express yourself instantly with MSN Messenger! Download today it's FREE!
http://messenger.msn.click-url.com/go/onm00200471ave/direct/01/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080421/4fcc1bf4/attachment.html>