[gmx-users] .xtc files

[David van der Spoel]

On Wed, 9 Jan 2002, paloureiro wrote:

>On Tuesday, January 08, 2002 at 08:02:47 PM, David van der Spoel wrote:
>
>> I usually write to trr every 10 or 20 ps (for making restart files), and
>> write the trajectory to xtc.
>
>Thanks for your reply, but I still have one question:
>What value do you use for the  parameter xtc_precision in the .mdp files?
1000,
that means that the default unit (nm) is divided by 1000, to give 1 pm
resolution.

that is more than enough for all structure based analysis.

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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