[gmx-developers] multiple file option

Anton Feenstra feenstra at chem.vu.nl
Tue Mar 26 11:50:22 CET 2002


David van der Spoel wrote:
> 
> On Tue, 26 Mar 2002, Anton Feenstra wrote:
> 
> ># 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.
> 
> Let's keep it simple but clear. In this case g_confrms should just print
> clearly:
> Using 1.gro with 1.ndx as the reference structure
> Using 2.gro with 2.ndx to be fitted on the reference structure.

Which implies that you think changing to the multiple file options
is a good idea. I'll do that probably somewhere this week.
It's a nice cleaning action, there are 8 programs that have one
or several '-f1/2' like options...

Any news on cvs.gromacs.org? I still can't get to it...

-- 
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  |
|  \__/  | Nijenborgh 4 - 9747 AG Groningen - The Netherlands        |
|   __   | Tel +31 50 363 4327 - Fax +31 50 363 4800                 |
|  /  \  | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton   |
| (    ) |-----------------------------------------------------------|
|  \__/  | "The Poodle Bites" (F. Zappa)                             |
|________|___________________________________________________________|



More information about the gromacs.org_gmx-developers mailing list