[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 |
| |---- | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands |
| |---- | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| ' __ | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
| / \ |-----------------------------------------------------------|
| ( ) | Dept. of Biophysical Chemistry - University of Groningen |
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| / \ | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton |
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