[gmx-developers] multiple file option

Berk Hess gmx3 at hotmail.com
Tue Mar 26 11:44:37 CET 2002

>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
>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.


Send and receive Hotmail on your mobile device: http://mobile.msn.com

More information about the gromacs.org_gmx-developers mailing list