[gmx-users] file too big?

David van der Spoel spoel at xray.bmc.uu.se
Wed Apr 30 10:29:01 CEST 2003

On Wed, 2003-04-30 at 10:16, Francesco Tordini wrote:
> > Hi,
> >=20
> > Having the same problem (saved too many data :-) ) and being
> > in the same group as Anton Feenstra (our GROMACS expert), we were
> > able to at least break down the big file into smaller pieces using
> 'split=
> '.
> > You have to know the number of frames, the filesize and then
> > divide the filesize by frames+1. This will give you the
> > size per frame. And then you can make the chunks you want....
> >=20
> > Hope this helps (at least it worked for me, thanks to Anton)
> It works well with file .trr, but in my case i need to split the .xtc
> file (the .trr file was too big for my disk and i save it only every
> 5000fs for restarting dynamics), and it don't seems to work. Do you know
> if this method applies also to .xtc files?
No it doesn't, xtc files do not have the same size per frame.

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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