[gmx-users] disk space check

[David van der Spoel]

On Wed, 2003-02-05 at 17:04, Dmitry Kovaskyy wrote:
> Hi, there
> 
> Often one can get MD crush due to "no space" on a hard disk.
> 
> I'm wondering that it could be usefull to include a final files size
> checking in grompp.
> I mean some option ( let it be "-disk"), when is turned on in grompp
> run,
> will write the size of expected final edr, trr, xtc, etc. file sizes.
> 
Good idea, if you write a function I'll add it to grompp.
It should read the inputrec after processing and know the number of
atoms...


> Dima
> -- 
> 
> PhD Student Dmytro Kovalskyy
> MD Group 
> Rijksuniversiteit Groningen
> Nijenborgh 4
> 9747 AG Groningen
> The Netherlands
> 
> e-mail: d.kovalskyy at chem.rug.nl
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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