[gmx-users] automated analysis

[Oliver Beckstein]

> 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

inp.txt:
----
1
3
----

and run

g_msd - index.nd  ... < inp.txt

At least both methods work for me...
Oliver

>
> 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
>>> _______________________________________________
>>> gmx-users mailing list
>>> gmx-users at gromacs.org
>>> http://www.gromacs.org/mailman/listinfo/gmx-users
>>> Please don't post (un)subscribe requests to the list. Use the
>>> www interface or send it to gmx-users-request at gromacs.org.
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
>
>
--
Oliver Beckstein * oliver at biop.ox.ac.uk
     http://sansom.biop.ox.ac.uk/oliver/