[gmx-users] Reading trajectory data

David van der Spoel spoel at xray.bmc.uu.se
Mon Jan 14 20:59:59 CET 2002

On Mon, 14 Jan 2002, Rui Qiao wrote:

>  Is this the way that I should do it? When I read the code where Gromacs
>read the trajectory data, it seems that it resets the options,
>through a function clear_trxframe() (in file trxio.c). If this is true,
>where should I set the precision?
The precision is set when writing the trajectory from mdrun. You need to
xtc_precision            = 10000
in the mdp file.

Once the tracetory is written the precision is fixed.

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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