[gmx-users] g_rms, matrix and raw data

[Tsjerk Wassenaar]

Hi Ninoo,

You can hack the code of gmx_rms.c in [GMXSRCDIR]/src/tools/ to output
the matrix generated into a human readable format. It is also possible
to write a raw binary file which can easily be processed using a
scripting language such as python (use g_rms -bin).

Best,

Tsjerk

On 9/27/06, ninoo mani <ninoomani at yahoo.co.in> wrote:
> Dear Mark
> I read the manual but I could not find any option to
> get the original values of the matrix. I will be
> highly appreciative if you can help.
> thanks
> Ninoo Mani
>
>
> --- Mark Abraham <mark.abraham at anu.edu.au> wrote:
>
> > > Dear all
> > >
> > > I run g_rms with -m option that produces a matrix
> > in
> > > .xpm format. Is it possible somehow to obtain raw
> > data
> > > i.e. the real numerical values of the elements of
> > the
> > > matrix?
> >
> > man g_rms
> >
> > Mark
> >
> > _______________________________________________
> > gmx-users mailing list    gmx-users at gromacs.org
> > http://www.gromacs.org/mailman/listinfo/gmx-users
> > 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
> >
>
>
>
> __________________________________________________________
> Yahoo! India Answers: Share what you know. Learn something new
> http://in.answers.yahoo.com/
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> 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
>


-- 
Tsjerk A. Wassenaar, Ph.D.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
Nijenborgh 4
9747AG Groningen, The Netherlands
+31 50 363 4336