[gmx-users] Re: genbox glitch on Windows port?

K.A. Feenstra Feenstra at chem.vu.nl
Mon Aug 19 10:04:54 CEST 2002


Erik Lindahl wrote:
> 
> Hi John,
> 
> I'm not using the Windows version myself, so it can take a couple of
> days before
> I even check problems, but we'll definitely fix it.
> 
> >
> >I noticed a rather interesting bug with genbox when running on Windows 2000
> >pro. Genbox completely erases the contents of my top file when I run it in
> >the Windows command line.  This is not a big problem because I can just
> >leave the top filename out of the command line and edit the file later to
> >include the number of solvent molecules.
> >
> Oops. Thanks for letting me know; I'll debug it and see what the problem
> is. The file input/output is slightly different in windows.

I think genbox first opens the file for reading, then for writing (without
closing it for reading). Since a backup file is made ('#topol.top#'), on 
Unix systems we will now be reading from the backup file and write to the 
new file. Apparently, this is not the case on MS-W. I knew it was a dirty
trick when I wrote it, and I am sorry I never got around to writing it 
more sensibly... ;-{


-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit 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   |
| (    ) |-----------------------------------------------------------|
|  \__/  | "If You See Me Getting High, Knock Me Down"               |
|        | (Red Hot Chili Peppers)                                   |
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