[gmx-users] automated analysis
oliver at biop.ox.ac.uk
Thu Dec 15 19:36:57 CET 2005
> 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.
In most UNIX shells
echo -e '1\n3' | g_msd -i index.ndx ....
will mimick your input '1' <return> '3' <return>; of course you need to
know the exact order of your input.
Alternatively, write a file with each of your inputs on one line such as
g_msd - index.nd ... < inp.txt
At least both methods work for me...
> 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
>>> all the rest.
>> you have to write the script.
>>> Best regards,
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>>> gmx-users at gromacs.org
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Oliver Beckstein * oliver at biop.ox.ac.uk
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