[gmx-developers] multiple file option

Anton Feenstra feenstra at chem.vu.nl
Tue Mar 26 11:54:54 CET 2002


David van der Spoel wrote:
> 
> 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.

Yes, but you can also do that quite conveniently with a foreach loop, 
trjconv and g_rms...

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
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