[gmx-users] Is there an easy way to disable the choice prompt in g_rmsf?

Rainer Boeckmann rainer at bioc.unizh.ch
Wed Jan 7 15:20:01 CET 2004


g_rmsf -f x.xtc -s x.tpr -n index.ndx -o <<EOF
1 (here the selection)

in the shell script.

Hua Wong wrote:

>Here is my problem :
>I have a hundred SA structures and wish to calculate de RMSF of some part 
>of the molecule. I want to make it automatically using a small shell 
>script. But how can I tell g_rmsf the choices I want whitout 
>the software pausing his execution to prompt me? Is there 
>a file I have to modify or just an option I might have misunderstood?

Dr. Rainer Böckmann
Computational Structural Biology - Biochemistry Department
University of Zürich
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
tel:    ++41-(0)1-63-555-93 - fax:    ++41-(0)1-63-568-62
email: rainer at bioc.unizh.ch

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