Re: [gmx-users] g_rms, matrix and raw data

2006-09-27 Thread 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 [EMAIL PROTECTED] 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 [EMAIL PROTECTED] 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

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--
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
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[gmx-users] g_rms, matrix and raw data

2006-09-26 Thread ninoo mani 
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?
Thanking in advance,
Ninoo



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Re: [gmx-users] g_rms, matrix and raw data

2006-09-26 Thread Mark Abraham 
 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

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