[gmx-developers] multiple file option
David van der Spoel
spoel at xray.bmc.uu.se
Tue Mar 26 15:41:22 CET 2002
On Tue, 26 Mar 2002, Berk Hess wrote:
>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.
Yes but how about fitting a whole series (I know it's not in g_confrms
now, but it could be convenient)
g_confrms -f reference.pbd target*.pdb -n n reference.ndx target*ndx
for instance for comparing different structures from the pdb.
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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