[gmx-users] .xtc files
David van der Spoel
spoel at xray.bmc.uu.se
Wed Jan 9 16:16:38 CET 2002
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?
that means that the default unit (nm) is divided by 1000, to give 1 pm
that is more than enough for all structure based analysis.
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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