[gmx-developers] multiple file option

[Berk Hess]

>I don't see that that would necessarily be a problem, first and second
>would now refer to first and second on the cmdline. Alternatively, we
>could allow the option of specifying multiple files with numbered
>options.
>So, for example if we would have for g_confrms:
>   -f       conf.gro  Input, Mult.  Structure+mass(db): tpr tpb tpa gro
>g96 pdb
>   -o        fit.pdb  Output        Generic structure: gro g96 pdb
>   -n        fit.ndx  Input, Opt., Mult.   Index file
>we could allow the user to specify:
># g_confrms -f2 2.gro -n2 2.ndx -f 1.gro -n 1.gro
>or, alternatively:
># g_confrms -f 1.gro 2.gro -n 1.ndx 2.ndx
>which would then be equivalent. But, in principle I would think
>that only the second option should be good enough.

g_confrms works fine as it is. For the user -f1, -f2, -n1 and -n2
are very clear option. I don't see any reason for making this
more complicated.
The mulitple file_options should be limited to the programs
where they are really necessary, thus in programs where
the number of files for an option is not prdefined.

Berk.


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