[gmx-users] automated analysis

Florian Haberl Florian.Haberl at chemie.uni-erlangen.de
Thu Dec 15 19:38:05 CET 2005


hi

simple scripts can do this in your favorite language

something like 

echo -e '0\n' | g_rmsd will choose your command

On Thursday 15 December 2005 22:26, Anthony Cruz wrote:
> But in the case of g_rmsd, g_rmsf, and other that I have to select a group or 
> input some options, How I can specify this options in the Scripps.
> 
>  
> On Wednesday 14 December 2005 12:10 pm, David van der Spoel wrote:
> > Anthony Cruz wrote:
> > > Hi User:
> > > I want to know if is possible to make a script for analysis of a
> > > trajectory. Where I specify the options I want to use and the script make
> > > all the rest.
> >
> > you have to write the script.
> >
> > > Best regards,
> > > Anthony
> > > _______________________________________________
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> 

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 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
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 D-91052 Erlangen
 Mailto: florian.haberl AT chemie.uni-erlangen.de
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