[gmx-developers] More about the Ekin issue.

[David]

On Mon, 2005-08-15 at 21:00 +0200, Xavier Periole wrote:

> >>>      
> >>>
> >>where can I find the CVS Manual ?
> >>    
> >>
> >
> >cvs co manual
> >
> >  
> >
> got the error :
> make: *** No rule to make target `programs.txt', needed by 
> `proglist.tex'.  Stop.
either
touch programs.txt
or
cp gromacs-source/admin/programs.txt .
> 

> >>
> >
> >What in particular are you thinking of? There is a new energy landscape
> >tool (g_sham) and we are working on a trajectory demultiplexing tool.
> >  
> >
> I think that the demultiplexing tool that I'd like ... I guess that 
> would give you the
> trajectory through the temperatures !!

Yes.

trjcat can demultiplex trajectories if you give it an xvg file that has
all information about the switches. Let me ask my students for the perl
script that is needed to generate the xvg file from the md.log file.
It's a bit messy...

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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