[gmx-users] Reading trajectory data

[David van der Spoel]

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
set:
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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