[gmx-users] weird nst*out problem

[David]

On Wed, 2003-01-08 at 17:06, Bert de Groot wrote:
>> However, this is not the case (output from a tool that simply reads
> the times from a .xtc file, which is btw also what tools like g_rms
> etc report as times in the .xvg files for example):
> 
>    300000.00000
>    300000.09375
>    300000.18750
>    300000.31250
>    300000.40625
>    300000.50000
> 
> which should have been:
> 
>    300000.00000
>    300000.10000
>    300000.20000
>    300000.30000
>    300000.40000
>    300000.50000

I think Anton is correct in assuming the right frames are stored, but
the precision of the float used for time is not more than 7 digits. You
therefore get these rounding problems.
> 

-- 
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://xray.bmc.uu.se/~spoel
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